Geometry & MOs

Info

ID:	3260
PubChem CID:	9408
Reduced:	NH9C15 (1)
Stoich.:	AB9C15 (1)
Weight, g/mol:	203.073499
ΔH_f, kcal/mol:	72.13
Dipole, Da:	2.76
IP(EA), eV:	-8.78(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C=CC4=NC=CC(=C43)C=C2

DOS

IR

Vibrations