Geometry & MOs

Info

ID:	436295
PubChem CID:	135198325
Reduced:	NF2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	317.106336
ΔH_f, kcal/mol:	-227.59
Dipole, Da:	9.06
IP(EA), eV:	-9.6(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-4-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1COCCC1CN2C=C(C(=O)C(=C2)C(=O)O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations