Geometry & MOs

Info

ID:

428074

PubChem CID:

135165997

Reduced:

ON4H38C64 (1)

Stoich.:

AB4C38D64 (1)

Weight, g/mol:

739.273596

ΔHf, kcal/mol:

294.78

Dipole, Da:

3.98

IP(EA), eV:

 -7.89(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-(3-phenylphenyl)-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)N(C7=C6C8=CC=CC=C8C9=CC=CC=C97)C1=NC2=CC=CC=C2C(=N1)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C1=CC=CC=C1

DOS

IR

Vibrations