Geometry & MOs

Info

ID:	324105
PubChem CID:	126676926
Reduced:	FN2O3C27H29 (1)
Stoich.:	AB2C3D27E29 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	-107.98
Dipole, Da:	4.24
IP(EA), eV:	-9.03(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[4-(oxolan-3-ylmethoxy)phenyl]piperidin-3-yl]methoxy]benzonitrile

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)OC[C@@H]2CNCC[C@H]2C3=CC=C(C=C3)OCC4=CC(=CC=C4)F

DOS

IR

Vibrations