Geometry & MOs

Info

ID:

88711

PubChem CID:

49956223

Reduced:

Br2N2O2H9C11 (1)

Stoich.:

A2B2C2D9E11 (1)

Weight, g/mol:

334.120996

ΔHf, kcal/mol:

-47.15

Dipole, Da:

2.77

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755618

Charge, e:

 -1

Chem-info

IUPAC name:

N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenyl]methyl]ethanamine;chloride

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)CBr.[Br-]

DOS

IR

Vibrations