Geometry & MOs

Info

ID:	190040
PubChem CID:	77944065
Reduced:	O3C25H42 (1)
Stoich.:	A3B25C42 (1)
Weight, g/mol:	320.235145
ΔH_f, kcal/mol:	-207.44
Dipole, Da:	3.06
IP(EA), eV:	-9.97(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-17-(hydroxymethyl)-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

CC(C)C(CCC1CCC2C1(CCC3C2C(CC4C3(CCC(=O)C4)C)O)C)O

DOS

IR

Vibrations