Geometry & MOs

Info

ID:	275956
PubChem CID:	103819440
Reduced:	BrN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	344.90713
ΔH_f, kcal/mol:	-35.39
Dipole, Da:	1.52
IP(EA), eV:	-9.06(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-3-yl)-3,6-dichloropyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCC(=O)NC2=C(N=CC=C2)Br

DOS

IR

Vibrations