Geometry & MOs

Info

ID:

377207

PubChem CID:

134223247

Reduced:

NH9C13 (4)

Stoich.:

AB9C13 (4)

Weight, g/mol:

789.289246

ΔHf, kcal/mol:

248.48

Dipole, Da:

2.22

IP(EA), eV:

 -7.91(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8,15-diazaheptacyclo[20.3.1.02,7.08,25.09,14.015,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,16,18(23),19,21,24-dodecaene

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C3=CC=C(C4=CC=CC=C43)C5=NC(=NC(=N5)C6=CC=CC=C6)C7=CC=CC=C7)C8=C1C9=C1C(=CC=CC1=C8)C=CN9C1=CC=CC=C1)C

DOS

IR

Vibrations