Geometry & MOs

Info

ID:	216293
PubChem CID:	85086002
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	251.034721
ΔH_f, kcal/mol:	-95.73
Dipole, Da:	2.65
IP(EA), eV:	-9.03(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-(2-chloroethyl)-5-fluoro-2,6-dioxo-5H-pyrimidin-3-ium-1-yl]urea

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C(CC1=CC=C(C=C1)O)N

DOS

IR

Vibrations