Geometry & MOs

Info

ID:	143530
PubChem CID:	53221820
Reduced:	BrClOH10C13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	224.058578
ΔH_f, kcal/mol:	-16.17
Dipole, Da:	1.87
IP(EA), eV:	-9.5(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyanophenyl)pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)C2=CC(=CC(=C2)Br)O

DOS

IR

Vibrations