Geometry & MOs

Info

ID:	178814
PubChem CID:	76385836
Reduced:	INOC17H22 (1)
Stoich.:	ABCD17E22 (1)
Weight, g/mol:	433.05388
ΔH_f, kcal/mol:	-19.88
Dipole, Da:	2.75
IP(EA), eV:	-8.87(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=C1C2=C(C=CC(=C2)C)C(=O)N1C(C)(C)C)I

DOS

IR

Vibrations