Geometry & MOs

Info

ID:	376196
PubChem CID:	134222202
Reduced:	ClON2F8H17C21 (1)
Stoich.:	ABC2D8E17F21 (1)
Weight, g/mol:	441.202797
ΔH_f, kcal/mol:	-416.48
Dipole, Da:	4.36
IP(EA), eV:	-9.95(-1.13)
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]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)Cl)C(/C=C/C2=CC(=C(C=C2)C(=O)NCNCC(F)(F)F)F)C(F)(F)F

DOS

IR

Vibrations