Geometry & MOs

Info

ID:	246963
PubChem CID:	103065818
Reduced:	BrClON2C9H10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	233.996283
ΔH_f, kcal/mol:	-17.38
Dipole, Da:	3.2
IP(EA), eV:	-9.58(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-[2-(chloromethyl)prop-2-enyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=NC=C(C(=O)N1CC(=C)CCl)Br

DOS

IR

Vibrations