Geometry & MOs

Info

ID:	188050
PubChem CID:	77661104
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	304.203845
ΔH_f, kcal/mol:	-68.37
Dipole, Da:	6.15
IP(EA), eV:	-8.32(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-4,5,6,7,8,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene-1,2,3-triol

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C)C(=O)C(C3=C2NC(C(C3)O)C4=CC=CC=C4)C(=O)NC

DOS

IR

Vibrations