Geometry & MOs

Info

ID:

329599

PubChem CID:

126738875

Reduced:

SN2H28C36 (1)

Stoich.:

AB2C28D36 (1)

Weight, g/mol:

974.260646

ΔHf, kcal/mol:

174.48

Dipole, Da:

1.47

IP(EA), eV:

 -6.43(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,20-bis[(E)-2-(4-pyridin-2-ylphenyl)ethenyl]-5,16-diazoniapentacyclo[14.4.4.01,16.02,12.03,9]tetracosa-2(12),3,6,8,14,17,19-heptaene;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1C[N+]2=C(C=C(C=C2)/C=C/C3=CC(=CS3)C4=CC=CC=C4)C5=C1C=CC6=C5C7=[N+](CC6)C=CC8=CC=CC=C87

DOS

IR

Vibrations