Geometry & MOs

Info

ID:	89418
PubChem CID:	49961541
Reduced:	ClNO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	391.096834
ΔH_f, kcal/mol:	-101.94
Dipole, Da:	3.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.811961
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-fluoro-5-nitrophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(=O)CCN1CC2=CC=CC=C2.[Cl-]

DOS

IR

Vibrations