Geometry & MOs

Info

ID:

186180

PubChem CID:

77399755

Reduced:

FN2O3C27H29 (1)

Stoich.:

AB2C3D27E29 (1)

Weight, g/mol:

411.31373

ΔHf, kcal/mol:

-112.93

Dipole, Da:

4.93

IP(EA), eV:

 -8.69(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3',11,12b-trimethylspiro[1,2,3,4,6,6a,6b,7,8,10,12,12a-dodecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol

Drug info:

PubChemData

Smile

CCC1=CC2=C(CC1(C)C(CCC3=CC=CC=C3CC(=O)O)O)C=NN2C4=CC=C(C=C4)F

DOS

IR

Vibrations