Geometry & MOs

Info

ID:	314025
PubChem CID:	126619737
Reduced:	N3O6C49H79 (1)
Stoich.:	A3B6C49D79 (1)
Weight, g/mol:	377.116427
ΔH_f, kcal/mol:	-305.59
Dipole, Da:	5.4
IP(EA), eV:	-8.61(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-hydroxy-3-methyl-4-oxa-5,13-diazahexacyclo[11.9.2.17,11.02,6.014,19.020,24]pentacosa-1(22),2,5,7,9,11(25),14(19),15,17,20,23-undecaene-21-carbonitrile

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCC(CCC)COC1=CC=CC(=C1C2=CC(=C(C(=C2)OCC(CCC)CCC)C3=CC(=CC(=C3)C[C@H](CN)O)OCC(CC)CC)C[C@H](CN)O)C[C@@H](CN)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCC(CCC)COC1=CC=CC(=C1C2=CC(=C(C(=C2)OCC(CCC)CCC)C3=CC(=CC(=C3)C[C@H](CN)O)OCC(CC)CC)C[C@H](CN)O)C[C@@H](CN)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):