Geometry & MOs

Info

ID:	84100
PubChem CID:	49864164
Reduced:	NO8C29H37 (1)
Stoich.:	AB8C29D37 (1)
Weight, g/mol:	323.152144
ΔH_f, kcal/mol:	-268.87
Dipole, Da:	18.98
IP(EA), eV:	-8.75(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-phenoxyhexyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCC(C)/C=C/C=C/C=C/C(=O)/C=C(/C1=C2C=C(/C(=C/NCCCO)/C(=O)[C@@]2(OC1=O)C)CC(CO)O)\O

DOS

IR

Vibrations