Geometry & MOs

Info

ID:	225586
PubChem CID:	85856280
Reduced:	O3C19H26 (1)
Stoich.:	A3B19C26 (1)
Weight, g/mol:	314.188195
ΔH_f, kcal/mol:	-147.05
Dipole, Da:	5.47
IP(EA), eV:	-9.76(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(hydroxymethyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CCC2=O)CCC4=CC(=O)CCC34)CO

DOS

IR

Vibrations