Geometry & MOs

Info

ID:

386850

PubChem CID:

134983138

Reduced:

H10C13 (6)

Stoich.:

A10B13 (6)

Weight, g/mol:

292.219101

ΔHf, kcal/mol:

460.06

Dipole, Da:

2.95

IP(EA), eV:

 -7.56(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,5,9,10,11,12,13,14-octamethyltricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1C3=CC=CC=C3C4=C(C(=C(C(=C4C)C5=CC=CC=C5)C6=CC=CC=C6)C)C7=CC=CC=C7C8=C(C(=C(C(=C8C)C9=CC=CC=C9)C1=CC=CC=C1)C)C1=CC=CC=C12)C)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations