Geometry & MOs

Info

ID:	199260
PubChem CID:	79224001
Reduced:	SN3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	286.066365
ΔH_f, kcal/mol:	68.72
Dipole, Da:	1.63
IP(EA), eV:	-8.68(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)benzoic acid

Drug info:

PubChemData

Smile

CNCC1=NN(C=C1)CCSC2=CC=CC=C2

DOS

IR

Vibrations