Geometry & MOs

Info

ID:

436006

PubChem CID:

135193324

Reduced:

N3H27C41 (1)

Stoich.:

A3B27C41 (1)

Weight, g/mol:

559.204848

ΔHf, kcal/mol:

207.79

Dipole, Da:

2.98

IP(EA), eV:

 -8.5(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)C4=CC=C(C=C4)N5C6=CC=CC=C6C7=CC=CC=C7N8C5=NC9=CC=CC=C98

DOS

IR

Vibrations