Geometry & MOs

Info

ID:

377242

PubChem CID:

134223286

Reduced:

NH7C11 (5)

Stoich.:

AB7C11 (5)

Weight, g/mol:

690.241962

ΔHf, kcal/mol:

295.14

Dipole, Da:

2.06

IP(EA), eV:

 -7.41(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-19-phenyl-3-oxa-19-azapentacyclo[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=CC4=C3C=CC(=C4)C5=C6C(=CC=C5)N(C7=C6C=C8C=CC=C9C8=C7N(C=C9)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations