Geometry & MOs

Info

ID:	120809
PubChem CID:	50745421
Reduced:	FO2N4H17C22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	388.109089
ΔH_f, kcal/mol:	11.01
Dipole, Da:	7.96
IP(EA), eV:	-8.85(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)NC3=CC=CC=C3F)C4=CC=CC=C4

DOS

IR

Vibrations