Geometry & MOs

Info

ID:	232674
PubChem CID:	87576694
Reduced:	ClN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	231.056529
ΔH_f, kcal/mol:	-69.77
Dipole, Da:	4.38
IP(EA), eV:	-9.09(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfonic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC2=C(C=CN=C2Cl)C(=O)O

DOS

IR

Vibrations