Geometry & MOs

Info

ID:

380326

PubChem CID:

134970736

Reduced:

ClN2O2H4C10 (2)

Stoich.:

AB2C2D4E10 (2)

Weight, g/mol:

396.286232

ΔHf, kcal/mol:

1.74

Dipole, Da:

5.5

IP(EA), eV:

 -8.69(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(2R)-5-[(1S,2S,3S,4S,6'R,10R)-2,3-dimethoxy-6'-methylspiro[7,9-diaza-12-azoniatricyclo[6.3.1.04,12]dodec-8(12)-ene-10,2'-oxane]-6-yl]pentan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)OC4=C(C(=C(C(=C4C#N)C#N)O)Cl)Cl

DOS

IR

Vibrations