Geometry & MOs

Info

ID:	18294
PubChem CID:	539477
Reduced:	ClON3C6H6 (1)
Stoich.:	ABC3D6E6 (1)
Weight, g/mol:	171.019939
ΔH_f, kcal/mol:	-15.05
Dipole, Da:	0.53
IP(EA), eV:	-10.29(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloropyrimidin-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=NC=N1)Cl

DOS

IR

Vibrations