Geometry & MOs

Info

ID:	292325
PubChem CID:	114916800
Reduced:	ClNO3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	305.081871
ΔH_f, kcal/mol:	-72.41
Dipole, Da:	5.2
IP(EA), eV:	-9.54(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-butan-2-ylphenoxy)-5-chloropyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=NC=C(C(=C2)C(=O)O)Cl

DOS

IR

Vibrations