Geometry & MOs

Info

ID:	182623
PubChem CID:	76915615
Reduced:	ClN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	277.095023
ΔH_f, kcal/mol:	-45.04
Dipole, Da:	2.58
IP(EA), eV:	-9.0(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C(=NO)N)OC1=C(C=CC(=C1)C)Cl

DOS

IR

Vibrations