Geometry & MOs

Info

ID:	272034
PubChem CID:	103719307
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-23.16
Dipole, Da:	3.53
IP(EA), eV:	-8.57(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCN(CC)CCNC(=O)C1=CC=CC2=C1NC=C2

DOS

IR

Vibrations