Geometry & MOs

Info

ID:	185630
PubChem CID:	77322665
Reduced:	O3C28H46 (1)
Stoich.:	A3B28C46 (1)
Weight, g/mol:	640.330108
ΔH_f, kcal/mol:	-193.65
Dipole, Da:	5.01
IP(EA), eV:	-8.82(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3,4-diethylphenyl)-1-hydroxypropyl]-2,3-dihydroisoindol-1-one;2-(1-hydroxy-3-naphthalen-2-ylpropyl)-3H-isoindol-1-one

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3=C2OC(=O)C4(C3(CCC(C4)OC)C)C)C

DOS

IR

Vibrations