Geometry & MOs

Info

ID:

377241

PubChem CID:

134223285

Reduced:

N5H33C51 (1)

Stoich.:

A5B33C51 (1)

Weight, g/mol:

765.289246

ΔHf, kcal/mol:

275.95

Dipole, Da:

2.43

IP(EA), eV:

 -7.43(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[5-(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),4,6,8,11,13,15,17-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)C4=C5C(=CC=C4)N(C6=C5C=C7C=CC=C8C7=C6N(C=C8)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations