Geometry & MOs

Info

ID:	191433
PubChem CID:	78145975
Reduced:	O4N5C10H13 (1)
Stoich.:	A4B5C10D13 (1)
Weight, g/mol:	266.054755
ΔH_f, kcal/mol:	-8.48
Dipole, Da:	5.88
IP(EA), eV:	-8.79(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbodithioic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C=NN=C(N)N)[N+](=O)[O-])OC

DOS

IR

Vibrations