Geometry & MOs

Info

ID:	317865
PubChem CID:	126646577
Reduced:	SF3O5N6H29C31 (1)
Stoich.:	AB3C5D6E29F31 (1)
Weight, g/mol:	484.200749
ΔH_f, kcal/mol:	-234.75
Dipole, Da:	2.48
IP(EA), eV:	-9.0(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-(1-methylsulfonylpiperidin-3-yl)oxy-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)N\2C(=O)CS/C2=N\C(=O)NC3=CC(=C(C=C3)COC4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F)OC

DOS

IR

Vibrations