Geometry & MOs

Info

ID:	326560
PubChem CID:	126687779
Reduced:	NF3C18H22 (1)
Stoich.:	AB3C18D22 (1)
Weight, g/mol:	503.191957
ΔH_f, kcal/mol:	-145.09
Dipole, Da:	3.28
IP(EA), eV:	-8.85(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[6-[[(1R)-4-[(4-methoxypiperidin-1-yl)methyl]-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-1-benzofuran-3-ylidene]acetic acid

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=C(C=C2)C(F)(F)F)CN3CCC4(CC4)CC3

DOS

IR

Vibrations