Geometry & MOs

Info

ID:	34207
PubChem CID:	7890296
Reduced:	BrFN3O4H9C13 (1)
Stoich.:	ABC3D4E9F13 (1)
Weight, g/mol:	325.026562
ΔH_f, kcal/mol:	-84.84
Dipole, Da:	3.22
IP(EA), eV:	-9.44(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-fluorophenyl)-2-(5-nitro-2-oxopyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)F)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations