Geometry & MOs

Info

ID:	375872
PubChem CID:	134221866
Reduced:	NF2O3C29H31 (1)
Stoich.:	AB2C3D29E31 (1)
Weight, g/mol:	470.198126
ΔH_f, kcal/mol:	-189.7
Dipole, Da:	4.95
IP(EA), eV:	-8.42(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=CC3=C2CCN3CC4=CC(=C(C=C4)F)F)C)C(C(=O)O)OC(C)(C)C

DOS

IR

Vibrations