Geometry & MOs

Info

ID:

377202

PubChem CID:

134223242

Reduced:

N2H17C24 (2)

Stoich.:

A2B17C24 (2)

Weight, g/mol:

818.340947

ΔHf, kcal/mol:

229.85

Dipole, Da:

2.51

IP(EA), eV:

 -7.77(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-[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=CC=CC(=C2C3=C1C4=C5C(=CC=CC5=C3)C=CN4C6=CC=CC=C6)C7=CC(=CC=C7)C8=NC(=NC(=N8)C9=CC=CC=C9)C1=CC=CC=C1)C

DOS

IR

Vibrations