Geometry & MOs

Info

ID:	193634
PubChem CID:	78416217
Reduced:	FN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	336.054466
ΔH_f, kcal/mol:	-160.31
Dipole, Da:	3.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.056377
Charge, e:	0

Chem-info

IUPAC name:

5,7-dichloro-2-(piperidin-4-ylidenemethylhydrazinylidene)quinolin-8-one

Drug info:

PubChemData

Smile

COCCCN1C(=O)C2C=CC=CC2=[N+](C1=O)CC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations