Geometry & MOs

Info

ID:

162882

PubChem CID:

57578254

Reduced:

N2H13C15 (2)

Stoich.:

A2B13C15 (2)

Weight, g/mol:

1120.356597

ΔHf, kcal/mol:

185.17

Dipole, Da:

4.7

IP(EA), eV:

 -7.24(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

20,34,48,65-tetraphenyl-6,61-diaza-4,63-diazoniaicosacyclo[49.7.1.13,7.15,21.15,35.19,13.123,27.137,41.02,50.04,49.06,19.08,18.022,32.036,46.055,59.017,64.031,62.033,63.045,60.047,61]pentahexaconta-1(58),2(50),3,7(65),8(18),9,11,13(64),14,16,19,21(63),22(32),23,25,27(62),28,30,33,35,37,39,41(60),42,44,46,48,51,53,55(59),56-hentriacontaene

Drug info:

PubChemData

Smile

C[N+]1=CC=C(C=C1)C(=C2C3=CC=CC=C3C(=C4NC=CN4)C5=CC=CC=C52)C6=CC=[N+](C=C6)C

DOS

IR

Vibrations