Geometry & MOs

Info

ID:	272547
PubChem CID:	103744990
Reduced:	ClN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	236.046489
ΔH_f, kcal/mol:	-44.28
Dipole, Da:	5.24
IP(EA), eV:	-9.28(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloropyridin-3-yl)-2-pyrazol-1-ylacetamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CN=C2)Cl

DOS

IR

Vibrations