Geometry & MOs

Info

ID:	378433
PubChem CID:	134224514
Reduced:	O2C13H24 (1)
Stoich.:	A2B13C24 (1)
Weight, g/mol:	542.184172
ΔH_f, kcal/mol:	-130.63
Dipole, Da:	3.06
IP(EA), eV:	-9.63(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzylphenyl)-5-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCCCC/C=C/C[C@@]1(CCC(O1)O)C

DOS

IR

Vibrations