Geometry & MOs

Info

ID:	12647
PubChem CID:	142570
Reduced:	NC15H15 (1)
Stoich.:	AB15C15 (1)
Weight, g/mol:	209.120449
ΔH_f, kcal/mol:	55.98
Dipole, Da:	1.27
IP(EA), eV:	-8.59(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-azatricyclo[9.2.2.14,8]hexadeca-1(14),4(16),5,7,11(15),12-hexaene

Drug info:

PubChemData

Smile

C1CC2=NC(=CC=C2)CCC3=CC=C1C=C3

DOS

IR

Vibrations