Geometry & MOs

Info

ID:

386676

PubChem CID:

134982508

Reduced:

SiC9H12 (4)

Stoich.:

AB9C12 (4)

Weight, g/mol:

2313.049216

ΔHf, kcal/mol:

-52.28

Dipole, Da:

1.1

IP(EA), eV:

 -8.43(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

43,44,45,46,47,48,49-heptahexadecoxyoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene

Drug info:

PubChemData

Smile

C[Si](C)(C)C1=C(C=C2C(=C1)C3=CC=CC=C3C4=CC=CC=C4C5=CC(=C(C=C52)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C

DOS

IR

Vibrations