Geometry & MOs

Info

ID:	199315
PubChem CID:	79229380
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	256.040545
ΔH_f, kcal/mol:	-65.12
Dipole, Da:	4.1
IP(EA), eV:	-8.82(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonyl)acetic acid

Drug info:

PubChemData

Smile

CC(=O)C1CCCN(C1)CC2COC3=CC=CC=C23

DOS

IR

Vibrations