Geometry & MOs

Info

ID:

385093

PubChem CID:

134978302

Reduced:

BNF4C21H24 (1)

Stoich.:

ABC4D21E24 (1)

Weight, g/mol:

1068.191263

ΔHf, kcal/mol:

-250.43

Dipole, Da:

12.88

IP(EA), eV:

 -9.31(-3.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[9-[2,3-bis(11,18-dimethoxy-9-tetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)cyclopropylidene]-11-methoxy-18-tetracyclo[8.8.0.02,8.012,17]octadeca-1,3,5,7,10,12,14,16-octaenylidene]-methyloxidanium;tetrachloroalumanuide

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.C1CCC(CC1)NC2C([C+]2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations