Geometry & MOs

Info

ID:	198872
PubChem CID:	79164888
Reduced:	ClNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	268.088164
ΔH_f, kcal/mol:	-149.92
Dipole, Da:	7.02
IP(EA), eV:	-9.08(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylmorpholin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCOC(C1)COC2=C(C=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations