Geometry & MOs

Info

ID:	178812
PubChem CID:	76385739
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	371.03823
ΔH_f, kcal/mol:	-98.15
Dipole, Da:	3.27
IP(EA), eV:	-9.27(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CC1C2=CC=CC(=C2C3=CC=NN13)C=CC(=O)OCC

DOS

IR

Vibrations