Geometry & MOs

Info

ID:	409652
PubChem CID:	135082434
Reduced:	N2H8C11 (1)
Stoich.:	A2B8C11 (1)
Weight, g/mol:	168.068748
ΔH_f, kcal/mol:	124.95
Dipole, Da:	0.75
IP(EA), eV:	-8.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene

Drug info:

PubChemData

Smile

C1=CC2=CC=C3N2C(=NC=C3)C=C1

DOS

IR

Vibrations