Geometry & MOs

Info

ID:	190039
PubChem CID:	77944064
Reduced:	O3C20H30 (1)
Stoich.:	A3B20C30 (1)
Weight, g/mol:	390.313395
ΔH_f, kcal/mol:	-167.32
Dipole, Da:	6.34
IP(EA), eV:	-9.95(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2CO)C(CC4=CC(=O)CCC34C)O

DOS

IR

Vibrations