Geometry & MOs

Info

ID:	285901
PubChem CID:	104136816
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	288.127406
ΔH_f, kcal/mol:	-51.3
Dipole, Da:	4.57
IP(EA), eV:	-8.74(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-4-methylanilino)-6-propylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2=CC(=CC(=N2)CC)C(=O)O

DOS

IR

Vibrations