Geometry & MOs

Info

ID:	289729
PubChem CID:	104370623
Reduced:	ClFN2O2C7H8 (1)
Stoich.:	ABC2D2E7F8 (1)
Weight, g/mol:	282.057134
ΔH_f, kcal/mol:	-135.06
Dipole, Da:	1.99
IP(EA), eV:	-10.13(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-5-(3-fluorophenyl)-3-propan-2-yl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C(=C(NC1=O)Cl)F

DOS

IR

Vibrations