Geometry & MOs

Info

ID:	323047
PubChem CID:	126671898
Reduced:	NO2C20H25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	327.981776
ΔH_f, kcal/mol:	-3.6
Dipole, Da:	4.54
IP(EA), eV:	-9.24(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-chloro-6-(4-chloro-2-fluoro-3-formylphenyl)pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)CCCC)[N+](=O)[O-]

DOS

IR

Vibrations