Geometry & MOs

Info

ID:	382580
PubChem CID:	134973833
Reduced:	NO5C27H27 (1)
Stoich.:	AB5C27D27 (1)
Weight, g/mol:	417.209264
ΔH_f, kcal/mol:	-132.6
Dipole, Da:	5.24
IP(EA), eV:	-8.29(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-2-phenylphenyl)methyl]-3-(4-methylphenyl)-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C2=CC(=C(C(=C2)OC)OC)OC)CCN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations