Geometry & MOs

Info

ID:

305068

PubChem CID:

124766488

Reduced:

NO4C19H26 (1)

Stoich.:

AB4C19D26 (1)

Weight, g/mol:

233.105193

ΔHf, kcal/mol:

-115.02

Dipole, Da:

2.38

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.750921

Charge, e:

0

Chem-info

IUPAC name:

(NE)-N-[(1'S,2'R,3'S,5'S,6'R,7'R,9'R,10'R)-spiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-ylidene]hydroxylamine

Drug info:

PubChemData

Smile

C[N@+]12CCCC[C@@H]1[C@@H](CCC2)COC(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations