Geometry & MOs

Info

ID:	120818
PubChem CID:	50745718
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	384.158626
ΔH_f, kcal/mol:	9.02
Dipole, Da:	7.13
IP(EA), eV:	-9.14(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=NN(C(=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3

DOS

IR

Vibrations