Geometry & MOs

Info

ID:	376035
PubChem CID:	134222035
Reduced:	ON2F3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	473.158961
ΔH_f, kcal/mol:	-163.71
Dipole, Da:	3.54
IP(EA), eV:	-9.26(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-N-[5-[(E)-4,4,4-trifluoro-3-(4-fluoro-3,5-dimethylphenyl)but-1-enyl]-2,3-dihydro-1H-inden-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C)C(/C=C/C2=CN=C(C(=C2)C)CNC(=O)C3CC3)C(F)(F)F

DOS

IR

Vibrations