Geometry & MOs

Info

ID:	12360
PubChem CID:	136027
Reduced:	H3C6N7 (1)
Stoich.:	A3B6C7 (1)
Weight, g/mol:	173.044993
ΔH_f, kcal/mol:	146.88
Dipole, Da:	0.0
IP(EA), eV:	-10.26(-2.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene

Drug info:

PubChemData

Smile

C1=NC2=NC=NC3=NC=NC(=N1)N23

DOS

IR

Vibrations