Geometry & MOs

Info

ID:	434067
PubChem CID:	135174224
Reduced:	ClON2F3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	307.168462
ΔH_f, kcal/mol:	-146.28
Dipole, Da:	1.31
IP(EA), eV:	-9.13(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(azetidin-3-ylmethylamino)methyl]phenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC(=CC=C2)OCC3=C(C=C(C=C3)C(F)(F)F)Cl

DOS

IR

Vibrations