Geometry & MOs

Info

ID:	325308
PubChem CID:	126682634
Reduced:	N3H13C20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	447.173548
ΔH_f, kcal/mol:	104.27
Dipole, Da:	3.98
IP(EA), eV:	-8.37(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-phenyl-15-(3-phenylphenyl)-8,10,12-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C4C(=CC=C3)NC5=CC=CC=C5C4=N2

DOS

IR

Vibrations