Geometry & MOs

Info

ID:	178815
PubChem CID:	76385837
Reduced:	INO2C20H20 (1)
Stoich.:	ABC2D20E20 (1)
Weight, g/mol:	417.05896
ΔH_f, kcal/mol:	-2.56
Dipole, Da:	2.92
IP(EA), eV:	-9.02(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-3-(1-iodo-2-phenylethylidene)isoindol-1-one

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=C(COC2=CC=CC=C2)I)C3=CC=CC=C3C1=O

DOS

IR

Vibrations