Geometry & MOs

Info

ID:	178816
PubChem CID:	76385838
Reduced:	INOC20H20 (1)
Stoich.:	ABCD20E20 (1)
Weight, g/mol:	385.05388
ΔH_f, kcal/mol:	30.35
Dipole, Da:	3.59
IP(EA), eV:	-8.97(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-3-(4-hydroxy-1-iodobutylidene)isoindol-1-one

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=C(CC2=CC=CC=C2)I)C3=CC=CC=C3C1=O

DOS

IR

Vibrations