Geometry & MOs

Info

ID:	382581
PubChem CID:	134973836
Reduced:	NOH27C30 (1)
Stoich.:	ABC27D30 (1)
Weight, g/mol:	371.152144
ΔH_f, kcal/mol:	34.7
Dipole, Da:	4.45
IP(EA), eV:	-9.09(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-methoxyphenyl)-4,5-dimethylphenyl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C3=CC=CC=C3C(=O)N2CC4=CC(=CC(=C4C5=CC=CC=C5)C)C

DOS

IR

Vibrations