Geometry & MOs

Info

ID:	375904
PubChem CID:	134221900
Reduced:	BrON2F3C26H30 (1)
Stoich.:	ABC2D3E26F30 (1)
Weight, g/mol:	578.17558
ΔH_f, kcal/mol:	-186.21
Dipole, Da:	3.96
IP(EA), eV:	-8.8(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[(E)-3-(3-ethyl-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C)C(/C=C/C2=CC(=C(C=C2)C(=O)NC3CCN(CC3)C)Br)C(F)(F)F

DOS

IR

Vibrations