Geometry & MOs

Info

ID:	43218
PubChem CID:	10319763
Reduced:	O3C27H44 (1)
Stoich.:	A3B27C44 (1)
Weight, g/mol:	416.967089
ΔH_f, kcal/mol:	-179.95
Dipole, Da:	4.75
IP(EA), eV:	-8.54(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,7-tetrachloro-2-(4-phenylbutyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C

DOS

IR

Vibrations