Geometry & MOs

Info

ID:	304525
PubChem CID:	124756158
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	437.162708
ΔH_f, kcal/mol:	-39.48
Dipole, Da:	3.86
IP(EA), eV:	-8.67(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3aS,4R,7R,7aR)-1,3-dioxo-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CN1CCC(CC1)(CNC(=O)[C@H](C2=CC=CC=C2)OC)C3=CC=CC=C3

DOS

IR

Vibrations