Geometry & MOs

Info

ID:	1163
PubChem CID:	3882
Reduced:	OC31H52 (1)
Stoich.:	AB31C52 (1)
Weight, g/mol:	440.401816
ΔH_f, kcal/mol:	-121.68
Dipole, Da:	2.34
IP(EA), eV:	-8.81(1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,10,13,14,17-hexamethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC(CCC=C(C)C)C1(CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)C

DOS

IR

Vibrations