Geometry & MOs

Info

ID:

442541

PubChem CID:

135252776

Reduced:

N5H26C43 (2)

Stoich.:

A5B26C43 (2)

Weight, g/mol:

1022.384544

ΔHf, kcal/mol:

479.87

Dipole, Da:

3.53

IP(EA), eV:

 -8.09(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,14-bis[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC(=CC(=C4)C5=CC=C(C=C5)C6=CC7=CN=CN=C7C=C6)C8=CC=C(C=C8)C9=CC1=CN=CN=C1C=C9)C=CC1=C3C2=CC=CC=C2N1C1=CC(=CC(=C1)C1=CC=C(C=C1)C1=CC2=CN=CN=C2C=C1)C1=CC=C(C=C1)C1=CC2=CN=CN=C2C=C1

DOS

IR

Vibrations