Geometry & MOs

Info

ID:	187935
PubChem CID:	77645041
Reduced:	NOC19H31 (1)
Stoich.:	ABC19D31 (1)
Weight, g/mol:	288.20893
ΔH_f, kcal/mol:	-79.0
Dipole, Da:	1.53
IP(EA), eV:	-8.68(1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-4,5,6,7,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthrene-3,3-diol

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2N)CCC4C3(C(=CCC4)O)C

DOS

IR

Vibrations