Geometry & MOs

Info

ID:	288928
PubChem CID:	104328598
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-132.87
Dipole, Da:	9.51
IP(EA), eV:	-8.6(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[methyl(2-methylsulfanylethyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCC(C2)C(C)O)C(=O)O

DOS

IR

Vibrations