Geometry & MOs

Info

ID:	276056
PubChem CID:	103820202
Reduced:	ClNSO2C12H18 (1)
Stoich.:	ABCD2E12F18 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-84.56
Dipole, Da:	4.87
IP(EA), eV:	-9.46(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(pyridin-4-ylmethylamino)hexanoate

Drug info:

PubChemData

Smile

CCCS(=O)(=O)CCNCC1=CC=CC=C1Cl

DOS

IR

Vibrations