Geometry & MOs

Info

ID:

386467

PubChem CID:

134981849

Reduced:

O2C10H11 (2)

Stoich.:

A2B10C11 (2)

Weight, g/mol:

1480.465945

ΔHf, kcal/mol:

-104.88

Dipole, Da:

3.71

IP(EA), eV:

-8.8(-0.78)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

11,22,33,59-tetramethyl-5,6,16,17,27,28,38,39-octanitro-45,49,53,57-tetrapentyl-2,9,13,20,24,31,35,42-octaoxatridecacyclo[41.15.1.144,58.03,8.010,56.012,54.014,19.021,52.023,50.025,30.032,48.034,46.036,41]hexaconta-1(59),3(8),4,6,10,12(54),14(19),15,17,21,23(50),25(30),26,28,32(48),33,36(41),37,39,43,46,51,55,58(60)-tetracosaene

Drug info:

PubChemData

Smile

CC(C)(C)C1=C2C=CC=CC=C2C=C(C(=C1)C(=O)OC)C(=O)OC

DOS

IR

Vibrations