Geometry & MOs

Info

ID:	5553
PubChem CID:	13324
Reduced:	O2C21H26 (1)
Stoich.:	A2B21C26 (1)
Weight, g/mol:	310.19328
ΔH_f, kcal/mol:	-69.36
Dipole, Da:	5.3
IP(EA), eV:	-9.02(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(CC=C)O

DOS

IR

Vibrations