Geometry & MOs

Info

ID:	175916
PubChem CID:	75967956
Reduced:	ON2H22C25 (1)
Stoich.:	AB2C22D25 (1)
Weight, g/mol:	366.240624
ΔH_f, kcal/mol:	150.93
Dipole, Da:	6.84
IP(EA), eV:	-4.32(-3.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5,6,16-tetrahydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanone

Drug info:

PubChemData

Smile

C[N+]1=CC=CC2=C1C=CC(=C2)C=CC(=O)C=CC3=CC4=C(C=C3)[N+](=CC=C4)C

DOS

IR

Vibrations