Geometry & MOs

Info

ID:	264659
PubChem CID:	103481147
Reduced:	BrClN2O3H8C13 (1)
Stoich.:	ABC2D3E8F13 (1)
Weight, g/mol:	339.97265
ΔH_f, kcal/mol:	-68.1
Dipole, Da:	5.15
IP(EA), eV:	-9.62(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-3-chlorophenyl)-5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Br)NC(=O)C2=CC(=NC=C2)C(=O)O

DOS

IR

Vibrations