Geometry & MOs

Info

ID:	827
PubChem CID:	3408
Reduced:	O3C19H26 (1)
Stoich.:	A3B19C26 (1)
Weight, g/mol:	302.188195
ΔH_f, kcal/mol:	-145.12
Dipole, Da:	4.26
IP(EA), eV:	-9.28(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Drug info:

PubChemData

Smile

CC12CCC(=O)C(=C1CCC3C2CCC4(C3CCC4=O)C)O

DOS

IR

Vibrations