Geometry & MOs

Info

ID:	184104
PubChem CID:	77109357
Reduced:	FN2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	271.991946
ΔH_f, kcal/mol:	-142.73
Dipole, Da:	5.91
IP(EA), eV:	-8.98(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dichlorophenyl)-5-fluoro-6-methyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)C2=CC3=C(C=C2)OCCCO3)F

DOS

IR

Vibrations