Geometry & MOs

Info

ID:	286174
PubChem CID:	104158433
Reduced:	SN2F3O3H11C12 (1)
Stoich.:	AB2C3D3E11F12 (1)
Weight, g/mol:	324.04734
ΔH_f, kcal/mol:	-174.47
Dipole, Da:	7.09
IP(EA), eV:	-9.39(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(S1)N2CCC(=CC2)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations