Geometry & MOs

Info

ID:	325349
PubChem CID:	126682868
Reduced:	N2H26C39 (1)
Stoich.:	A2B26C39 (1)
Weight, g/mol:	522.209599
ΔH_f, kcal/mol:	201.11
Dipole, Da:	3.03
IP(EA), eV:	-8.07(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3,5-diphenylphenyl)-15-phenyl-5,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)N3C4=CC=CC=C4C5=CC(=NC6=C5C3=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations