Geometry & MOs

Info

ID:

435978

PubChem CID:

135193130

Reduced:

N5H31C47 (1)

Stoich.:

A5B31C47 (1)

Weight, g/mol:

666.253195

ΔHf, kcal/mol:

261.78

Dipole, Da:

3.93

IP(EA), eV:

 -8.48(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2C3=NC(=NC(=C3)C4=CC=C(C=C4)N5C6=CC=CC=C6C7=CC=CC=C7N8C5=NC9=CC=CC=C98)C1=CC=CC=C1

DOS

IR

Vibrations