Geometry & MOs

Info

ID:	191949
PubChem CID:	78207758
Reduced:	ClO3N5C10H12 (1)
Stoich.:	AB3C5D10E12 (1)
Weight, g/mol:	252.050339
ΔH_f, kcal/mol:	4.62
Dipole, Da:	5.74
IP(EA), eV:	-10.1(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),3,6-triene-5-thione

Drug info:

PubChemData

Smile

C1=CN=CC=C1CNC(=O)C2C(C(NN2)[N+](=O)[O-])Cl

DOS

IR

Vibrations