Geometry & MOs

Info

ID:	409414
PubChem CID:	135082195
Reduced:	N2O2C4H9 (1)
Stoich.:	A2B2C4D9 (1)
Weight, g/mol:	207.89196
ΔH_f, kcal/mol:	-1.15
Dipole, Da:	4.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756505
Charge, e:	0

Chem-info

IUPAC name:

1lambda4,2-dithia-8-selenabicyclo[3.3.0]octa-1(5),3,6-triene

Drug info:

PubChemData

Smile

C[N+](=CC[N+](=O)[O-])C

DOS

IR

Vibrations