Geometry & MOs

Info

ID:	319683
PubChem CID:	126657010
Reduced:	O5N7C27H41 (1)
Stoich.:	A5B7C27D41 (1)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-156.74
Dipole, Da:	6.71
IP(EA), eV:	-8.95(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5R)-10-methoxy-12-oxapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,14-tetraen-14-yl] N-(2-aminoethyl)-N-methylcarbamate

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

CCN(C)[C@@H]1CC2=C3C4C1CCC(=O)[C@@H]4OC3=C(C=C2)OC(=O)N(C)CCNC(=O)[C@H](CCCN=C(N)N)N

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

CCN(C)[C@@H]1CC2=C3C4C1CCC(=O)[C@@H]4OC3=C(C=C2)OC(=O)N(C)CCNC(=O)[C@H](CCCN=C(N)N)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):