Geometry & MOs

Info

ID:	382579
PubChem CID:	134973832
Reduced:	NOH19C23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	445.188923
ΔH_f, kcal/mol:	28.65
Dipole, Da:	5.4
IP(EA), eV:	-9.11(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4,5-dimethyl-2-(3,4,5-trimethoxyphenyl)phenyl]ethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=C2CN3C(C2=C1C)C4=CC=CC=C4C3=O)C5=CC=CC=C5

DOS

IR

Vibrations