Geometry & MOs

Info

ID:	5518
PubChem CID:	13268
Reduced:	ClFO2N3C9H13 (1)
Stoich.:	ABC2D3E9F13 (1)
Weight, g/mol:	249.068032
ΔH_f, kcal/mol:	-146.92
Dipole, Da:	2.97
IP(EA), eV:	-9.52(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-chloroethyl(2-fluoroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=O)N1)N(CCF)CCCl

DOS

IR

Vibrations