Geometry & MOs

Info

ID:	713
PubChem CID:	3240
Reduced:	OC27H48 (1)
Stoich.:	AB27C48 (1)
Weight, g/mol:	388.370516
ΔH_f, kcal/mol:	-143.05
Dipole, Da:	2.36
IP(EA), eV:	-9.99(3.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

DOS

IR

Vibrations