Geometry & MOs

Info

ID:	24056
PubChem CID:	607593
Reduced:	NC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	212.106196
ΔH_f, kcal/mol:	78.27
Dipole, Da:	1.67
IP(EA), eV:	-9.75(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,8,13,16-tetrazatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene

Drug info:

PubChemData

Smile

C1CC2=NC=CN=C2CCC3=NC=CN=C31

DOS

IR

Vibrations