Geometry & MOs

Info

ID:	48525
PubChem CID:	11077829
Reduced:	O5H16C18 (1)
Stoich.:	A5B16C18 (1)
Weight, g/mol:	329.141579
ΔH_f, kcal/mol:	-142.35
Dipole, Da:	4.59
IP(EA), eV:	-9.03(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-3-phenyl-2-(1-phenylethyl)isoindol-1-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)CC(=O)CC(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations