Geometry & MOs

Info

ID:	246954
PubChem CID:	103065783
Reduced:	ClN3H12C13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	212.071641
ΔH_f, kcal/mol:	76.6
Dipole, Da:	3.68
IP(EA), eV:	-9.23(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(chloromethyl)prop-2-enyl]-2,6-dimethylpyrimidin-4-one

Drug info:

PubChemData

Smile

C=C(CN1C2=CC=CC=C2N=C1CC#N)CCl

DOS

IR

Vibrations