Geometry & MOs

Info

ID:	376144
PubChem CID:	134222147
Reduced:	OF3H19C21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	517.082319
ΔH_f, kcal/mol:	-166.65
Dipole, Da:	5.52
IP(EA), eV:	-9.47(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(E)-3-(3,5-dichloro-4-methylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(/C=C/C2=CC3=C(C=C2)C(=O)CC3)C(F)(F)F)C

DOS

IR

Vibrations