Geometry & MOs

Info

ID:	282586
PubChem CID:	103931929
Reduced:	BrFON2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	400.88337
ΔH_f, kcal/mol:	-12.4
Dipole, Da:	5.32
IP(EA), eV:	-8.2(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)Br)NC2=CC=C(C=C2)OCC#N

DOS

IR

Vibrations