Geometry & MOs

Info

ID:

449718

PubChem CID:

135300895

Reduced:

N3C13H13 (1)

Stoich.:

A3B13C13 (1)

Weight, g/mol:

963.455249

ΔHf, kcal/mol:

58.52

Dipole, Da:

3.03

IP(EA), eV:

 -8.06(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(29-dodecacyclo[31.13.2.11,31.13,16.118,31.04,9.010,15.019,24.025,30.035,40.041,46.016,50]henpentaconta-4,6,8,10,12,14,19,21,23,25,27,29,35,37,39,41,43,45-octadecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(N2)C3=CC=C(C=C3)N

DOS

IR

Vibrations