Geometry & MOs

Info

ID:	376143
PubChem CID:	134222146
Reduced:	OF5H17C21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	344.1388
ΔH_f, kcal/mol:	-253.92
Dipole, Da:	2.94
IP(EA), eV:	-9.73(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-3-(3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C)C(/C=C/C2=CC3=C(C=C2)C(=O)C(C3)F)C(F)(F)F

DOS

IR

Vibrations