Geometry & MOs

Info

ID:	172119
PubChem CID:	75468745
Reduced:	F2N2O4H10C17 (1)
Stoich.:	A2B2C4D10E17 (1)
Weight, g/mol:	329.12949
ΔH_f, kcal/mol:	-89.87
Dipole, Da:	4.2
IP(EA), eV:	-8.9(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl)-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1=COC(=C1)C2=CC(=C(C=C2)F)NC(=O)C3=C(C=C(C=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations