Geometry & MOs

Info

ID:	246927
PubChem CID:	103065650
Reduced:	ClN2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	184.040341
ΔH_f, kcal/mol:	24.35
Dipole, Da:	1.76
IP(EA), eV:	-9.1(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(chloromethyl)prop-2-enyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(=C)CCl)C

DOS

IR

Vibrations