Geometry & MOs

Info

ID:	120811
PubChem CID:	50745462
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	404.104003
ΔH_f, kcal/mol:	20.03
Dipole, Da:	6.11
IP(EA), eV:	-9.27(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=NC(=N2)C(=O)N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations