Geometry & MOs

Info

ID:

12147

PubChem CID:

131449

Reduced:

NOC24H34 (1)

Stoich.:

ABC24D34 (1)

Weight, g/mol:

352.26404

ΔHf, kcal/mol:

9.55

Dipole, Da:

0.73

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751517

Charge, e:

 1

Chem-info

IUPAC name:

5-(cyclopropylmethyl)-11-methoxy-5-methyl-5-azoniapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8(13),9,11-triene

Drug info:

PubChemData

Smile

C[N+]1(CCC2C3CCC4C2(C1CC5=C4C=C(C=C5)OC)CC3)CC6CC6

DOS

IR

Vibrations