Geometry & MOs

Info

ID:	3100
PubChem CID:	9155
Reduced:	NH9C15 (1)
Stoich.:	AB9C15 (1)
Weight, g/mol:	203.073499
ΔH_f, kcal/mol:	87.85
Dipole, Da:	2.08
IP(EA), eV:	-9.05(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C4=C(C3=CC=C2)N=CC=C4

DOS

IR

Vibrations