Geometry & MOs

Info

ID:	291664
PubChem CID:	113456858
Reduced:	FN2O2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	229.121512
ΔH_f, kcal/mol:	-71.01
Dipole, Da:	4.23
IP(EA), eV:	-9.24(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-5-methyl-2-(6-methylpyridin-3-yl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC2=NC(=CC=C2)F

DOS

IR

Vibrations