Geometry & MOs

Info

ID:	289733
PubChem CID:	104371180
Reduced:	ClIN2O2H14C15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	258.000761
ΔH_f, kcal/mol:	-46.54
Dipole, Da:	1.94
IP(EA), eV:	-9.56(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(2,3-difluorophenyl)-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(C1)C2=C(NC(=O)N(C2=O)C3=CC=CC=C3I)Cl

DOS

IR

Vibrations