Geometry & MOs

Info

ID:	292326
PubChem CID:	114916811
Reduced:	ClNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	289.050571
ΔH_f, kcal/mol:	-84.96
Dipole, Da:	5.22
IP(EA), eV:	-9.65(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[(E)-3-phenylprop-2-enoxy]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C1=CC=CC=C1OC2=NC=C(C(=C2)C(=O)O)Cl

DOS

IR

Vibrations