Geometry & MOs

Info

ID:	396539
PubChem CID:	135028698
Reduced:	NO4H21C22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	391.141973
ΔH_f, kcal/mol:	-120.61
Dipole, Da:	8.4
IP(EA), eV:	-8.15(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CC1(CC(=C(C(=O)C1)C2C3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)O)O)C

DOS

IR

Vibrations