Geometry & MOs

Info

ID:	47875
PubChem CID:	10535713
Reduced:	NO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	191.069271
ΔH_f, kcal/mol:	-5.29
Dipole, Da:	2.57
IP(EA), eV:	-8.29(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,9bR)-9b-deuterio-4,5-dihydro-3aH-benzo[e][1,3]benzodioxol-2-one

Drug info:

PubChemData

Smile

[14CH2]1[C@H](O1)COC2=CC=CC3=C2C=CN3

DOS

IR

Vibrations