Geometry & MOs

Info

ID:	433960
PubChem CID:	135174107
Reduced:	ClSN2O3C19H23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	307.168462
ΔH_f, kcal/mol:	-66.85
Dipole, Da:	7.19
IP(EA), eV:	-9.09(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)COC2=CC=C(C=C2)CNCC3CNC3)Cl

DOS

IR

Vibrations