Geometry & MOs

Info

ID:	143577
PubChem CID:	53229460
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	288.09102
ΔH_f, kcal/mol:	-72.79
Dipole, Da:	9.23
IP(EA), eV:	-8.85(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(ethylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=CC(=O)C=CN2)OC

DOS

IR

Vibrations