Geometry & MOs

Info

ID:	261449
PubChem CID:	103234555
Reduced:	ClN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	281.027728
ΔH_f, kcal/mol:	-123.65
Dipole, Da:	2.73
IP(EA), eV:	-8.58(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chloroanilino)methyl]-5-methylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CNC1=CC=CC=C1Cl)C(=O)OC

DOS

IR

Vibrations