Geometry & MOs

Info

ID:	198097
PubChem CID:	79046432
Reduced:	FNOC18H28 (1)
Stoich.:	ABCD18E28 (1)
Weight, g/mol:	247.064471
ΔH_f, kcal/mol:	-119.58
Dipole, Da:	4.25
IP(EA), eV:	-8.43(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1CCCC(CC1)(CO)NC2=CC(=CC(=C2)C)F

DOS

IR

Vibrations