Geometry & MOs

Info

ID:

310278

PubChem CID:

126577815

Reduced:

N2H12C21 (2)

Stoich.:

A2B12C21 (2)

Weight, g/mol:

485.189198

ΔHf, kcal/mol:

248.29

Dipole, Da:

2.45

IP(EA), eV:

 -8.12(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

21-(9,9-dimethylfluoren-2-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=C5C6=C(C=C4)C7=CC=CC=C7N6C8=NC9=CC=CC=C9N=C58)C1=C2C=CC2=CC=CC=C21

DOS

IR

Vibrations