Geometry & MOs

Info

ID:	48382
PubChem CID:	10543026
Reduced:	ClN2C19H19 (1)
Stoich.:	AB2C19D19 (1)
Weight, g/mol:	313.086956
ΔH_f, kcal/mol:	47.24
Dipole, Da:	4.83
IP(EA), eV:	-7.89(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-chlorophenyl)butyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CN(C=C2C1CNC3=C2C=C(C=C3)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations