Geometry & MOs

Info

ID:	225144
PubChem CID:	85741972
Reduced:	NOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	252.001178
ΔH_f, kcal/mol:	-56.5
Dipole, Da:	3.88
IP(EA), eV:	-9.31(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-chlorophenyl)thiophen-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CC.C1=CC=CC=C1

DOS

IR

Vibrations