Geometry & MOs

Info

ID:

298107

PubChem CID:

117647538

Reduced:

N2O6C13H16 (1)

Stoich.:

A2B6C13D16 (1)

Weight, g/mol:

566.22458

ΔHf, kcal/mol:

-210.86

Dipole, Da:

6.18

IP(EA), eV:

 -10.15(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[15,15-dimethyl-10-[(3Z,5Z)-7-methylidene-2H-1-benzoxonin-10-yl]-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl]dibenzofuran

Drug info:

PubChemData

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C[C@@]12[C@@H]([C@H](O[C@H]1N3C=CC(=O)NC3=O)C=O)OC(O2)(C)C

DOS

IR

Vibrations