Geometry & MOs

Info

ID:	275676
PubChem CID:	103817022
Reduced:	BrClFON3H6C11 (1)
Stoich.:	ABCDE3F6G11 (1)
Weight, g/mol:	313.006575
ΔH_f, kcal/mol:	-13.81
Dipole, Da:	2.48
IP(EA), eV:	-9.33(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(3,4-difluorophenyl)-5-nitropyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)F)NC(=O)C2=CN=C(C=N2)Cl

DOS

IR

Vibrations