Geometry & MOs

Info

ID:

215117

PubChem CID:

85084183

Reduced:

SiO7C41H74 (1)

Stoich.:

AB7C41D74 (1)

Weight, g/mol:

706.26175

ΔHf, kcal/mol:

-460.31

Dipole, Da:

6.07

IP(EA), eV:

 -9.44(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[6-(14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-4-yl)hexyl]-9-methoxy-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-4,6(17),7,9,15-pentaen-14-ol;bromide

Drug info:

PubChemData

Smile

CCCCCCC1CCCC(OCO1)C2CCC(O2)C3CCC(O3)C(CCCCCCCCCCCCC4=CC(OC4=O)C)O[Si](C)(C)C

DOS

IR

Vibrations