Geometry & MOs

Info

ID:	139539
PubChem CID:	52551695
Reduced:	ClO2N4H17C23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	405.045109
ΔH_f, kcal/mol:	38.97
Dipole, Da:	9.29
IP(EA), eV:	-9.04(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-cyanophenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)COC3=CC=CC=C3C(=O)NC4=CC(=C(C=C4)Cl)C#N

DOS

IR

Vibrations