Geometry & MOs

Info

ID:	225585
PubChem CID:	85856272
Reduced:	OH7C9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	302.188195
ΔH_f, kcal/mol:	-8.11
Dipole, Da:	5.59
IP(EA), eV:	-9.4(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)C=C(O2)C=CC3=CC=CC=C3

DOS

IR

Vibrations