Geometry & MOs

Info

ID:	26160
PubChem CID:	639240
Reduced:	NS2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	170.059246
ΔH_f, kcal/mol:	67.37
Dipole, Da:	1.36
IP(EA), eV:	-8.68(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

Drug info:

PubChemData

Smile

CCCC1=NC(=C(S1)C2=CC=CC=C2)C3=CC=CS3

DOS

IR

Vibrations