Geometry & MOs

Info

ID:	178813
PubChem CID:	76385835
Reduced:	INO2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	383.07461
ΔH_f, kcal/mol:	-31.75
Dipole, Da:	3.39
IP(EA), eV:	-8.99(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-3-(1-iodobutylidene)-5-methylisoindol-1-one

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=C(COC)I)C2=CC=CC=C2C1=O

DOS

IR

Vibrations