Geometry & MOs

Info

ID:	22448
PubChem CID:	597209
Reduced:	N4H6C11 (1)
Stoich.:	A4B6C11 (1)
Weight, g/mol:	194.059246
ΔH_f, kcal/mol:	133.4
Dipole, Da:	3.63
IP(EA), eV:	-9.14(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-diazo-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

Drug info:

PubChemData

Smile

C1=CC2=C(C(=[N+]=[N-])C3=C2C=CC=N3)N=C1

DOS

IR

Vibrations