Geometry & MOs

Info

ID:

393462

PubChem CID:

135020639

Reduced:

NH7C9 (4)

Stoich.:

AB7C9 (4)

Weight, g/mol:

516.231397

ΔHf, kcal/mol:

133.13

Dipole, Da:

3.1

IP(EA), eV:

 -8.36(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,13,22,36-tetrazanonacyclo[32.2.1.13,6.112,15.121,24.05,10.014,19.023,28.030,35]tetraconta-1(37),3(40),5,7,9,12(39),14,16,18,21(38),23,25,27,30,32,34-hexadecaene

Drug info:

PubChemData

Smile

C1C2=CC=CC3=C2NC(=C3)CC4=CC5=C(N4)C(=CC=C5)CC6=CC=CC7=C6NC(=C7)CC8=CC9=C(C1=CC=C9)N8

DOS

IR

Vibrations