Geometry & MOs

Info

ID:	196890
PubChem CID:	78891276
Reduced:	BrNO3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	404.00395
ΔH_f, kcal/mol:	-44.21
Dipole, Da:	7.44
IP(EA), eV:	-8.96(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-2-methylphenyl)-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)NC(=O)C2=CC3=C(O2)C(=CC=C3)OC

DOS

IR

Vibrations