Geometry & MOs

Info

ID:	21699
PubChem CID:	589570
Reduced:	O3C20H26 (1)
Stoich.:	A3B20C26 (1)
Weight, g/mol:	314.188195
ΔH_f, kcal/mol:	-146.39
Dipole, Da:	2.57
IP(EA), eV:	-8.92(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,14-dihydroxy-13-propyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CCCC12CCC3C(C1(CCC2=O)O)CCC4=C3C=CC(=C4)O

DOS

IR

Vibrations