Geometry & MOs

Info

ID:	13331
PubChem CID:	225744
Reduced:	O2C19H30 (1)
Stoich.:	A2B19C30 (1)
Weight, g/mol:	290.22458
ΔH_f, kcal/mol:	-142.91
Dipole, Da:	3.1
IP(EA), eV:	-9.86(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-hydroxy-1,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1CC(=O)CC2C1C3CCC4(C(C3CC2)CCC4O)C

DOS

IR

Vibrations