Geometry & MOs

Info

ID:

88626

PubChem CID:

49955769

Reduced:

BrNOC10H13 (1)

Stoich.:

ABCD10E13 (1)

Weight, g/mol:

324.118888

ΔHf, kcal/mol:

1.9

Dipole, Da:

1.38

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.863628

Charge, e:

 -1

Chem-info

IUPAC name:

spiro[1-azabicyclo[2.2.2]octane-3,4'-5a,6,7,8,9,9a-hexahydrothieno[3,2-c]chromene];chloride

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1NCCC2.[Br-]

DOS

IR

Vibrations