Geometry & MOs

Info

ID:	261417
PubChem CID:	103232332
Reduced:	O2N5C12H23 (1)
Stoich.:	A2B5C12D23 (1)
Weight, g/mol:	273.08235
ΔH_f, kcal/mol:	-39.57
Dipole, Da:	7.21
IP(EA), eV:	-8.76(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylsulfanylanilino)methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(CNCCN1C=C(N=N1)C(=O)O)CN(C)C

DOS

IR

Vibrations