Geometry & MOs

Info

ID:	21549
PubChem CID:	588891
Reduced:	ClON2C5H5 (1)
Stoich.:	ABC2D5E5 (1)
Weight, g/mol:	144.00904
ΔH_f, kcal/mol:	-18.87
Dipole, Da:	8.78
IP(EA), eV:	-9.43(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=CN1)Cl

DOS

IR

Vibrations