Geometry & MOs

Info

ID:	206992
PubChem CID:	80329301
Reduced:	NC20H35 (1)
Stoich.:	AB20C35 (1)
Weight, g/mol:	300.973105
ΔH_f, kcal/mol:	-46.65
Dipole, Da:	1.79
IP(EA), eV:	-8.79(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC(C)(C)CNC(C)CCC1=CC=CC(=C1)C

DOS

IR

Vibrations