Geometry & MOs

Info

ID:

297777

PubChem CID:

117630374

Reduced:

NO4C30H33 (1)

Stoich.:

AB4C30D33 (1)

Weight, g/mol:

488.293997

ΔHf, kcal/mol:

-105.64

Dipole, Da:

2.78

IP(EA), eV:

 -8.93(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(8R,9S,10R,13S,14S)-3-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]benzimidazole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC=C(C=C2)C(=O)N(CC3=CC=CC=C3OCCCCCC(=O)O)C4CC4

DOS

IR

Vibrations