Geometry & MOs

Info

ID:

299434

PubChem CID:

117682959

Reduced:

N5H41C62 (1)

Stoich.:

A5B41C62 (1)

Weight, g/mol:

829.320546

ΔHf, kcal/mol:

303.25

Dipole, Da:

0.44

IP(EA), eV:

 -7.9(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-naphthalen-2-yl-21-N,21-N,26-N,26-N-tetraphenyl-2,11,16-triazaheptacyclo[15.12.0.03,15.04,12.05,10.018,23.024,29]nonacosa-1,3(15),4(12),5,7,9,13,16,18(23),19,21,24(29),25,27-tetradecaene-21,26-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)N=C7C8=C(C=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)C1=C(C7=N6)C=CC(=C1)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations