Geometry & MOs

Info

ID:	21077
PubChem CID:	587105
Reduced:	ClN2O2H9C12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	248.035255
ΔH_f, kcal/mol:	-25.72
Dipole, Da:	5.24
IP(EA), eV:	-9.03(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)NC(=O)C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations