Geometry & MOs

Info

ID:	317816
PubChem CID:	126646010
Reduced:	SN2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	520.181905
ΔH_f, kcal/mol:	45.31
Dipole, Da:	6.08
IP(EA), eV:	-8.66(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-[3-(1-methylsulfonylazetidin-3-yl)oxypropyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SN2CCCC2)C#N

DOS

IR

Vibrations