Geometry & MOs

Info

ID:

377217

PubChem CID:

134223258

Reduced:

NH9C13 (4)

Stoich.:

AB9C13 (4)

Weight, g/mol:

789.289246

ΔHf, kcal/mol:

248.22

Dipole, Da:

2.25

IP(EA), eV:

 -7.8(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[4,6-bis(2-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=CC=CC(=C2C3=C1C4=C5C(=CC=CC5=C3)C=CN4C6=CC=CC=C6)C7=CC8=C(C=C7)C(=CC=C8)C9=NC(=NC(=N9)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations