Geometry & MOs

Info

ID:

377229

PubChem CID:

134223273

Reduced:

N5H33C51 (1)

Stoich.:

A5B33C51 (1)

Weight, g/mol:

765.289246

ΔHf, kcal/mol:

276.21

Dipole, Da:

2.72

IP(EA), eV:

 -7.44(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC=C7)C8=C9C(=CC=CC9=C6)C=CN8C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations