Geometry & MOs

Info

ID:	206233
PubChem CID:	80222168
Reduced:	ClON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	207.019939
ΔH_f, kcal/mol:	1.24
Dipole, Da:	7.02
IP(EA), eV:	-9.64(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloropyridin-2-yl)-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=O)N=C(N1)C2=NC=C(C=C2)Cl

DOS

IR

Vibrations