Geometry & MOs

Info

ID:

377212

PubChem CID:

134223253

Reduced:

N5H27C45 (1)

Stoich.:

A5B27C45 (1)

Weight, g/mol:

818.340947

ΔHf, kcal/mol:

252.39

Dipole, Da:

2.47

IP(EA), eV:

 -7.19(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,3-dimethyl-19-phenyl-19-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4(9),5,7,11,13,15,17-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=CC7=CC=CC8=C7C9=C6N5C1=CC=CC=C1N9C=C8)C1=CC=CC=C1

DOS

IR

Vibrations