Geometry & MOs

Info

ID:

310220

PubChem CID:

126576929

Reduced:

NC7H15 (2)

Stoich.:

AB7C15 (2)

Weight, g/mol:

652.408752

ΔHf, kcal/mol:

-40.28

Dipole, Da:

0.1

IP(EA), eV:

-7.96(2.76)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1'S,2'S,3aS,6'S,6aR,9R,9aR,9bS,10'R,12'S,16'S)-3,5'-bis(diethylaminomethyl)-12',16'-dihydroxy-6,9'-dimethylidenespiro[3,3a,4,5,6a,7,9a,9b-octahydroazuleno[4,5-b]furan-9,13'-3-oxatetracyclo[8.6.0.02,6.012,16]hexadecane]-2,4',8-trione

Drug info:

PubChemData

Smile

CCCCCN1C[C@@H](N(C[C@H]1C)C(C)C)C

DOS

IR

Vibrations