Geometry & MOs

Info

ID:	298495
PubChem CID:	117650217
Reduced:	NO5C20H31 (1)
Stoich.:	AB5C20D31 (1)
Weight, g/mol:	767.423949
ΔH_f, kcal/mol:	-253.73
Dipole, Da:	0.55
IP(EA), eV:	-8.56(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

22-tert-butyl-9-phenyl-3-(2,4,6-trimethylcyclohexa-2,4-dien-1-yl)-15-(2,4,6-trimethylphenyl)-3,9,15-triazaheptacyclo[18.6.2.12,16.14,8.110,14.017,27.024,28]hentriaconta-1,4,6,8(31),10(30),11,13,16(29),17(27),18,20,22,24(28),25-tetradecaene

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

CCOC1=CC=C(C=C1)C[C@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

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

CCOC1=CC=C(C=C1)C[C@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):