Geometry & MOs

Info

ID:	261437
PubChem CID:	103234133
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	261.08235
ΔH_f, kcal/mol:	-117.54
Dipole, Da:	4.88
IP(EA), eV:	-9.04(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dimethylanilino)methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CNCCC1=CC=CC=C1)C(=O)OC

DOS

IR

Vibrations