Geometry & MOs

Info

ID:	287972
PubChem CID:	104303295
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	276.09102
ΔH_f, kcal/mol:	-38.74
Dipole, Da:	1.01
IP(EA), eV:	-10.03(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-3-methoxyphenyl)-2-(6-methoxypyrimidin-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(C1CC1)C(=O)CC2=CC(=NC=N2)OC

DOS

IR

Vibrations