Geometry & MOs

Info

ID:	185052
PubChem CID:	77247458
Reduced:	FON4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	288.20893
ΔH_f, kcal/mol:	-49.62
Dipole, Da:	9.27
IP(EA), eV:	-8.42(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-3,4,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,17-diol

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C3=CC=C(C=C3)C#N)N4CC(CC4C(=O)N)F

DOS

IR

Vibrations