Geometry & MOs

Info

ID:	275532
PubChem CID:	103816522
Reduced:	BrClON3H7C13 (1)
Stoich.:	ABCD3E7F13 (1)
Weight, g/mol:	345.93201
ΔH_f, kcal/mol:	53.91
Dipole, Da:	5.06
IP(EA), eV:	-9.48(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-6-chloropyridin-3-yl)-2,5-difluorobenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)NC2=CC(=C(N=C2)Cl)Br)C#N

DOS

IR

Vibrations