Geometry & MOs

Info

ID:	79642
PubChem CID:	49829824
Reduced:	N3O5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	405.08138
ΔH_f, kcal/mol:	-67.92
Dipole, Da:	3.75
IP(EA), eV:	-9.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-[(2-bromophenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NN=CC2=CC=CO2)[N+](=O)[O-]

DOS

IR

Vibrations