Geometry & MOs

Info

ID:	138688
PubChem CID:	52408468
Reduced:	ClN2O6C19H19 (1)
Stoich.:	AB2C6D19E19 (1)
Weight, g/mol:	326.093439
ΔH_f, kcal/mol:	-134.19
Dipole, Da:	4.56
IP(EA), eV:	-9.29(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-pyrazol-1-ylanilino)-N-phenylacetamide

Drug info:

PubChemData

Smile

CN(CCCOC1=CC(=CC=C1)Cl)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations