Geometry & MOs

Info

ID:	409651
PubChem CID:	135082433
Reduced:	N3H5C8 (1)
Stoich.:	A3B5C8 (1)
Weight, g/mol:	168.068748
ΔH_f, kcal/mol:	116.04
Dipole, Da:	4.79
IP(EA), eV:	-9.35(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,13-diazatricyclo[6.4.1.04,13]trideca-1,3,5,7,9,11-hexaene

Drug info:

PubChemData

Smile

C1=CC2=CN=C3N2C1=CC=N3

DOS

IR

Vibrations