Geometry & MOs

Info

ID:

377218

PubChem CID:

134223259

Reduced:

N5H35C57 (1)

Stoich.:

A5B35C57 (1)

Weight, g/mol:

765.289246

ΔHf, kcal/mol:

303.35

Dipole, Da:

2.09

IP(EA), eV:

 -7.22(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-3,19-diphenyl-3,19-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4(9),5,7,11,13,15,17-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2C3=NC(=NC(=N3)C4=CC=C(C=C4)C5=CC6=C(C=C5)C7=CC8=CC=CC9=C8C1=C7N6C2=CC=CC=C2N1C=C9)C1=CC=CC=C1C1=CC=CC=C1

DOS

IR

Vibrations