Geometry & MOs

Info

ID:

377213

PubChem CID:

134223254

Reduced:

N2H21C30 (2)

Stoich.:

A2B21C30 (2)

Weight, g/mol:

818.340947

ΔHf, kcal/mol:

273.96

Dipole, Da:

2.41

IP(EA), eV:

 -7.85(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-[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

CC1(C2=C(C=CC(=C2)C3=CC=C(C=C3)C4=NC(=NC(=N4)C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=C(C=C7)C8=CC=CC=C8)C9=C1C1=C2C(=CC=CC2=C9)C=CN1C1=CC=CC=C1)C

DOS

IR

Vibrations