Geometry & MOs

Info

ID:

436878

PubChem CID:

135212539

Reduced:

N3H21C35 (1)

Stoich.:

A3B21C35 (1)

Weight, g/mol:

433.157898

ΔHf, kcal/mol:

191.56

Dipole, Da:

5.13

IP(EA), eV:

 -8.1(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-naphthalen-2-yl-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)N4C5=CC=CC=C5C6=C4N7C8=CC=CC=C8C9=CC=CC=C9C7=N6

DOS

IR

Vibrations