Geometry & MOs

Info

ID:	246955
PubChem CID:	103065784
Reduced:	ClON2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	273.051634
ΔH_f, kcal/mol:	-35.04
Dipole, Da:	2.26
IP(EA), eV:	-9.65(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(chloromethyl)prop-2-enyl]-1-ethyl-5-nitropyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=N1)C)CC(=C)CCl

DOS

IR

Vibrations