Geometry & MOs

Info

ID:	21076
PubChem CID:	587104
Reduced:	ClN2O2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	248.035255
ΔH_f, kcal/mol:	-25.31
Dipole, Da:	4.52
IP(EA), eV:	-9.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(3-hydroxypyridin-2-yl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations