Geometry & MOs

Info

ID:	18053
PubChem CID:	535365
Reduced:	OC19H28 (1)
Stoich.:	AB19C28 (1)
Weight, g/mol:	272.214016
ΔH_f, kcal/mol:	-23.71
Dipole, Da:	4.51
IP(EA), eV:	-8.09(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-1,4,5,6,7,8,9,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-one

Drug info:

PubChemData

Smile

CC12CCCC1C3CCC4CC=CCC4(C3C(=O)C2)C

DOS

IR

Vibrations