Geometry & MOs

Info

ID:	138689
PubChem CID:	52408620
Reduced:	ClON4H15C17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	390.065031
ΔH_f, kcal/mol:	48.06
Dipole, Da:	3.83
IP(EA), eV:	-9.0(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-2-(5-chloro-2-pyrazol-1-ylanilino)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CNC2=C(C=CC(=C2)Cl)N3C=CC=N3

DOS

IR

Vibrations