Geometry & MOs

Info

ID:	120808
PubChem CID:	50745378
Reduced:	ClN4O4H21C24 (1)
Stoich.:	AB4C4D21E24 (1)
Weight, g/mol:	388.133554
ΔH_f, kcal/mol:	-34.61
Dipole, Da:	4.88
IP(EA), eV:	-8.19(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=NN2C3=CC(=CC=C3)Cl)C(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations