Geometry & MOs

Info

ID:	26861
PubChem CID:	800468
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	337.167794
ΔH_f, kcal/mol:	-178.26
Dipole, Da:	2.73
IP(EA), eV:	-9.26(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzylpiperidin-1-yl)-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)OC)NC(=O)CNC(=O)C2CCCCC2

DOS

IR

Vibrations