Geometry & MOs

Info

ID:	1662
PubChem CID:	4840
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-67.39
Dipole, Da:	4.02
IP(EA), eV:	-8.85(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations