Geometry & MOs

Info

ID:	357458
PubChem CID:	127294091
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-156.13
Dipole, Da:	2.7
IP(EA), eV:	-8.3(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)C2CCCN2C(=O)C3CCN(C3=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations