Geometry & MOs

Info

ID:	1701
PubChem CID:	4901
Reduced:	O2C21H36 (1)
Stoich.:	A2B21C36 (1)
Weight, g/mol:	320.27153
ΔH_f, kcal/mol:	-160.26
Dipole, Da:	3.7
IP(EA), eV:	-10.04(2.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(1-hydroxyethyl)-10,13-dimethyl-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(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O

DOS

IR

Vibrations