Geometry & MOs

Info

ID:

27448

PubChem CID:

821379

Reduced:

NO4C20H24 (1)

Stoich.:

AB4C20D24 (1)

Weight, g/mol:

266.151809

ΔHf, kcal/mol:

-81.43

Dipole, Da:

8.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.906994

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,4R,7S,9R,12S,13S)-4,9,13-trimethyl-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadecan-14-one

Drug info:

PubChemData

Smile

C[N+]1(CC[C@@]23C=C(C(=O)C=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)C

DOS

IR

Vibrations