Geometry & MOs

Info

ID:	165131
PubChem CID:	74503515
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	347.157109
ΔH_f, kcal/mol:	-71.24
Dipole, Da:	3.38
IP(EA), eV:	-8.53(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(1,3-benzodioxol-4-ylmethyl)-N-(3,4-difluorophenyl)piperidin-1-ium-3-amine

Drug info:

PubChemData

Smile

CC1C=CCC(N1C(=O)C2=COC(=N2)COC3=CC=C(C=C3)OC)CC=C

DOS

IR

Vibrations