Geometry & MOs

Info

ID:

436884

PubChem CID:

135212578

Reduced:

N4H28C45 (1)

Stoich.:

A4B28C45 (1)

Weight, g/mol:

499.204848

ΔHf, kcal/mol:

238.11

Dipole, Da:

1.05

IP(EA), eV:

 -8.05(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-(9,9-dimethylfluoren-2-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C(C=CC=C42)C5=CC=C(C=C5)N6C7=CC=CC=C7C8=C6N=C9N8C1=CC=CC=C1C1=CC=CC=C19

DOS

IR

Vibrations