Geometry & MOs

Info

ID:	376146
PubChem CID:	134222149
Reduced:	NOF4C23H25 (1)
Stoich.:	ABC4D23E25 (1)
Weight, g/mol:	481.166492
ΔH_f, kcal/mol:	-199.32
Dipole, Da:	2.76
IP(EA), eV:	-8.68(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-methyl-4-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]phenyl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C)C(/C=C/C2=CC3=C(C=C2)N(CC3)OC(C)C)C(F)(F)F

DOS

IR

Vibrations