Geometry & MOs

Info

ID:	279261
PubChem CID:	103842336
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	313.957
ΔH_f, kcal/mol:	0.21
Dipole, Da:	4.26
IP(EA), eV:	-9.26(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCN(CC1CC1)C(=O)C2=CC3=C(C=C2)NC(=O)C3

DOS

IR

Vibrations