Geometry & MOs

Info

ID:	302504
PubChem CID:	124361989
Reduced:	NO2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	357.230394
ΔH_f, kcal/mol:	-98.23
Dipole, Da:	3.09
IP(EA), eV:	-8.14(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aS,5aS,9bR)-3-[(3,3-dimethylpiperidin-1-yl)methyl]-5a,9-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione

Drug info:

PubChemData

Smile

CC(C)CNC1=CC=C2C(=CC1=O)[C@@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC

DOS

IR

Vibrations