Geometry & MOs

Info

ID:	144232
PubChem CID:	53334961
Reduced:	ClF3O3N5H17C20 (1)
Stoich.:	AB3C3D5E17F20 (1)
Weight, g/mol:	399.109817
ΔH_f, kcal/mol:	-193.64
Dipole, Da:	4.76
IP(EA), eV:	-9.05(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-chloroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC(=O)NC2=C(C=CC(=C2)Cl)OC)C(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations