Geometry & MOs

Info

ID:

7287

PubChem CID:

71936

Reduced:

ClNO5C22H24 (1)

Stoich.:

ABC5D22E24 (1)

Weight, g/mol:

417.134301

ΔHf, kcal/mol:

-129.68

Dipole, Da:

7.48

IP(EA), eV:

 -8.14(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11,17-dimethoxy-4-methylidenespiro[2,15-dioxa-6-azoniatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3(8),10,12(16),13-pentaene-6,1'-azinan-1-ium]-9-one;chloride

Drug info:

PubChemData

Smile

COC1=C2C(=C(C3=C1C=CO3)OC)OC4=C(C2=O)C[N+]5(CCCCC5)CC4=C.[Cl-]

DOS

IR

Vibrations