Geometry & MOs

Info

ID:	73437
PubChem CID:	48417695
Reduced:	ON2F5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	416.171162
ΔH_f, kcal/mol:	-252.46
Dipole, Da:	7.18
IP(EA), eV:	-9.21(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzofuran-2-yl-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C(F)(F)F)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations