Geometry & MOs

Info

ID:

386444

PubChem CID:

134981765

Reduced:

OC10H20 (1)

Stoich.:

AB10C20 (1)

Weight, g/mol:

2382.724862

ΔHf, kcal/mol:

-81.82

Dipole, Da:

1.57

IP(EA), eV:

-9.25(1.28)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(5Z,29Z)-15,20,39,44,53,58,73,78-octakis(3,7-dimethyloctyl)heptacosacyclo[32.14.14.1410,25.813,22.136,61.137,41.142,46.147,50.151,55.156,60.663,64.112,81.123,70.171,75.176,80.017,90.018,83.065,96.066,97.067,98.068,99.084,89.085,94.086,93.087,92.088,91.095,100]hecta-a(63),1(48),5,10(82),11,13(90),14,16,18,20,22(83),23,25(69),29,34,36,38,40,42,44,46,49,51(65),52,54,56,58,60(64),61,66(97),67(98),68(99),70,72,74,76,78,80,84(89),85(94),86(93),87(92),88(91),95-tetratetracontaene

Drug info:

PubChemData

Smile

CCC=C(CC)CC(C)(C)O

DOS

IR

Vibrations