Geometry & MOs

Info

ID:	375914
PubChem CID:	134221910
Reduced:	NF4C24H27 (1)
Stoich.:	AB4C24D27 (1)
Weight, g/mol:	546.11298
ΔH_f, kcal/mol:	-189.9
Dipole, Da:	4.05
IP(EA), eV:	-9.05(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(6-methoxypyridin-3-yl)methyl]-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]benzamide

Drug info:

PubChemData

Smile

CCCNC1CCC2=C1C=CC(=C2)/C=C/C(C3=CC(=C(C(=C3)C)F)C)C(F)(F)F

DOS

IR

Vibrations