Geometry & MOs

Info

ID:

397092

PubChem CID:

135029715

Reduced:

O2N5C26H35 (1)

Stoich.:

A2B5C26D35 (1)

Weight, g/mol:

467.28964

ΔHf, kcal/mol:

-23.78

Dipole, Da:

10.9

IP(EA), eV:

 -8.7(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10R)-10-[(E)-2-[(1'R,2'R,4'aR,8'aR)-1',2',4'a-trimethylspiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydro-1H-naphthalene]-2'-yl]ethenyl]-9-hydroxy-10-methyl-1,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene

Drug info:

PubChemData

Smile

C[C@@]1(CCN2C=NC3=C2C(=NC=N3)N1)/C=C/[C@@]4([C@H]5CCCC6([C@@]5(CCC4=C)C)OCCO6)C

DOS

IR

Vibrations