Geometry & MOs

Info

ID:	376179
PubChem CID:	134222184
Reduced:	NOCl2F3C22H22 (1)
Stoich.:	ABC2D3E22F22 (1)
Weight, g/mol:	486.168576
ΔH_f, kcal/mol:	-201.6
Dipole, Da:	2.53
IP(EA), eV:	-9.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methyl-N-[(6-methylpyridin-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)Cl)C(/C=C/C2=CC(=C(C=C2)C(=O)NC(C)C)Cl)C(F)(F)F

DOS

IR

Vibrations