Geometry & MOs

Info

ID:	14893
PubChem CID:	423577
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-30.89
Dipole, Da:	6.61
IP(EA), eV:	-8.92(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-nitrophenyl)-3-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations