Geometry & MOs

Info

ID:	249547
PubChem CID:	103090398
Reduced:	SN2O2C12H24 (1)
Stoich.:	AB2C2D12E24 (1)
Weight, g/mol:	267.1293
ΔH_f, kcal/mol:	-105.52
Dipole, Da:	5.77
IP(EA), eV:	-8.76(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[methyl(4-methylsulfanylbutyl)amino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(CCCSC)CC(=O)O

DOS

IR

Vibrations