Geometry & MOs

Info

ID:	144233
PubChem CID:	53334998
Reduced:	ClO3N5H18C19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	397.130553
ΔH_f, kcal/mol:	-27.4
Dipole, Da:	2.99
IP(EA), eV:	-8.54(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC(=O)NC2=CC(=CC=C2)Cl)C(=O)NC3=CC=CC=C3OC

DOS

IR

Vibrations