Geometry & MOs

Info

ID:

310449

PubChem CID:

126580471

Reduced:

N3H25C39 (1)

Stoich.:

A3B25C39 (1)

Weight, g/mol:

672.325297

ΔHf, kcal/mol:

199.01

Dipole, Da:

3.59

IP(EA), eV:

 -8.22(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,14-dimethyl-6-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-3(8),4,6,15,17,19-hexaene

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C3=C1C4=C(C=C3)C5=C(N4C6=NC7=CC=CC=C7C(=N6)C8=CC=CC=C8)C=CC(=C5)C9=CC=CC=C9

DOS

IR

Vibrations