Geometry & MOs

Info

ID:	3082
PubChem CID:	9132
Reduced:	NH9C15 (1)
Stoich.:	AB9C15 (1)
Weight, g/mol:	203.073499
ΔH_f, kcal/mol:	71.97
Dipole, Da:	2.72
IP(EA), eV:	-8.58(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C=CC4=C3C(=CN=C4)C=C2

DOS

IR

Vibrations