Geometry & MOs

Info

ID:

299441

PubChem CID:

117682966

Reduced:

N5H49C74 (1)

Stoich.:

A5B49C74 (1)

Weight, g/mol:

955.367496

ΔHf, kcal/mol:

349.06

Dipole, Da:

1.25

IP(EA), eV:

 -7.92(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,11-dinaphthalen-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(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=CC=C(C=C2)N3C4=C(C=C(C=C4)C5=CC=CC(=C5)C6=CC=CC=C6)C7=C3C=CC8=C7N=C9C1=C(C=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=C(C9=N8)C=CC(=C1)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations