Geometry & MOs

Info

ID:

299448

PubChem CID:

117682974

Reduced:

N7H37C59 (1)

Stoich.:

A7B37C59 (1)

Weight, g/mol:

956.362745

ΔHf, kcal/mol:

333.12

Dipole, Da:

0.86

IP(EA), eV:

 -8.11(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-naphthalen-2-yl-21-N,21-N,26-N,26-N-tetraphenyl-11-quinolin-6-yl-2,11,16-triazaheptacyclo[15.12.0.03,15.04,12.05,10.018,23.024,29]nonacosa-1,3(15),4(12),5(10),6,8,13,16,18(23),19,21,24(29),25,27-tetradecaene-21,26-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3C5=C(C=C4)N=C6C7=CC=CC=C7C8=C(C6=N5)C=CC(=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations