Geometry & MOs

Info

ID:	120806
PubChem CID:	50745324
Reduced:	ON3C22H31 (1)
Stoich.:	AB3C22D31 (1)
Weight, g/mol:	432.05857
ΔH_f, kcal/mol:	-40.41
Dipole, Da:	3.08
IP(EA), eV:	-8.71(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC1C2=NC3=CC=CC=C3N2CCC4CCCCC4

DOS

IR

Vibrations