Geometry & MOs

Info

ID:	376186
PubChem CID:	134222191
Reduced:	ON2F3C27H27 (1)
Stoich.:	AB2C3D27E27 (1)
Weight, g/mol:	347.149699
ΔH_f, kcal/mol:	-154.81
Dipole, Da:	4.44
IP(EA), eV:	-9.46(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CNC(=O)C2=C(C=C(C=C2)/C=C/C(C3=CC(=CC(=C3)C)C)C(F)(F)F)C

DOS

IR

Vibrations