Geometry & MOs

Info

ID:	280808
PubChem CID:	103851367
Reduced:	NOF2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-98.34
Dipole, Da:	1.48
IP(EA), eV:	-8.34(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCOCC1=CC=CC=C1NCC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations