Geometry & MOs

Info

ID:

176194

PubChem CID:

76007544

Reduced:

ClOSN4H18C19 (1)

Stoich.:

ABCD4E18F19 (1)

Weight, g/mol:

293.105681

ΔHf, kcal/mol:

102.49

Dipole, Da:

2.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750058

Charge, e:

 -1

Chem-info

IUPAC name:

N-[2-[(4-methoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ylidene]hydroxylamine;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC2=NN=C(O2)C(CC3=CNC4=CC=CC=C43)N.[Cl-]

DOS

IR

Vibrations