Geometry & MOs

Info

ID:	279281
PubChem CID:	103842816
Reduced:	BrClON2H12C16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	313.957
ΔH_f, kcal/mol:	37.47
Dipole, Da:	1.97
IP(EA), eV:	-9.33(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations