Geometry & MOs

Info

ID:	246962
PubChem CID:	103065815
Reduced:	ClON4C9H9 (1)
Stoich.:	ABC4D9E9 (1)
Weight, g/mol:	275.9665
ΔH_f, kcal/mol:	39.57
Dipole, Da:	2.06
IP(EA), eV:	-9.25(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[2-(chloromethyl)prop-2-enyl]-2-methylpyrimidin-4-one

Drug info:

PubChemData

Smile

C=C(CN1C(=O)N2C=CN=CC2=N1)CCl

DOS

IR

Vibrations