Geometry & MOs

Info

ID:	318977
PubChem CID:	126654027
Reduced:	ClFO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	329.061885
ΔH_f, kcal/mol:	-116.3
Dipole, Da:	1.55
IP(EA), eV:	-9.64(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-3-(2-chlorophenyl)-2-fluorobut-2-enyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(/C)\C1=CC=CC=C1Cl)/F

DOS

IR

Vibrations