Geometry & MOs

Info

ID:	246960
PubChem CID:	103065809
Reduced:	ClNOC12H20 (1)
Stoich.:	ABCD12E20 (1)
Weight, g/mol:	277.94577
ΔH_f, kcal/mol:	-72.47
Dipole, Da:	3.57
IP(EA), eV:	-9.36(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCC(=O)N(CC1)CC(=C)CCl)C

DOS

IR

Vibrations