Geometry & MOs

Info

ID:

377200

PubChem CID:

134223240

Reduced:

N2H17C24 (2)

Stoich.:

A2B17C24 (2)

Weight, g/mol:

818.340947

ΔHf, kcal/mol:

228.36

Dipole, Da:

2.53

IP(EA), eV:

 -7.86(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[4,6-bis(3-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

CC1(C2=C(C=CC(=C2)C3=CC=C(C=C3)C4=NC(=NC(=N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=C1C8=C9C(=CC=CC9=C7)C=CN8C1=CC=CC=C1)C

DOS

IR

Vibrations