Geometry & MOs

Info

ID:	120819
PubChem CID:	50745719
Reduced:	O2N4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	404.104003
ΔH_f, kcal/mol:	42.91
Dipole, Da:	7.66
IP(EA), eV:	-8.61(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2=NN(C(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations