Geometry & MOs

Info

ID:	14583
PubChem CID:	415387
Reduced:	ClON3C5H6 (1)
Stoich.:	ABC3D5E6 (1)
Weight, g/mol:	159.019939
ΔH_f, kcal/mol:	-6.14
Dipole, Da:	5.23
IP(EA), eV:	-8.5(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-5-(methylamino)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CNC1=C(NC=NC1=O)Cl

DOS

IR

Vibrations