Geometry & MOs

Info

ID:	217181
PubChem CID:	85087385
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	340.165014
ΔH_f, kcal/mol:	-82.84
Dipole, Da:	4.24
IP(EA), eV:	-8.45(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-methyl-7-(trifluoromethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

CC(=O)N1C(CC(=C2C=CC=CC2=O)N1)C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations