Geometry & MOs

Info

ID:	128804
PubChem CID:	51058484
Reduced:	NO2C5H5 (3)
Stoich.:	AB2C5D5 (3)
Weight, g/mol:	395.0321
ΔH_f, kcal/mol:	-66.92
Dipole, Da:	5.03
IP(EA), eV:	-9.46(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzo[f]quinolin-4-ium-4-yl-1-(4-fluorophenyl)ethanone;bromide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-].O

DOS

IR

Vibrations