Geometry & MOs

Info

ID:	88716
PubChem CID:	49956246
Reduced:	Cl2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	440.126476
ΔH_f, kcal/mol:	213.47
Dipole, Da:	3.64
IP(EA), eV:	-9.09(-8.33)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenyl]methanamine;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCCCN2C=CN=C2.[Cl-].[Cl-]

DOS

IR

Vibrations