Geometry & MOs

Info

ID:	325325
PubChem CID:	126682751
Reduced:	N4H16C25 (1)
Stoich.:	A4B16C25 (1)
Weight, g/mol:	525.195346
ΔH_f, kcal/mol:	147.59
Dipole, Da:	3.17
IP(EA), eV:	-8.38(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-3,5,8-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=CC3=C4C(=C2)C=CC=C4N(C5=NC=NC=C35)C6=CC=NC=C6

DOS

IR

Vibrations