Geometry & MOs

Info

ID:	312691
PubChem CID:	126607386
Reduced:	NO5C7H11 (1)
Stoich.:	AB5C7D11 (1)
Weight, g/mol:	195.071785
ΔH_f, kcal/mol:	-162.05
Dipole, Da:	4.5
IP(EA), eV:	-10.44(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxido-2-pent-2-ynylsulfanyl-1,2-dihydropyridin-1-ium

Drug info:

PubChemData

Smile

CC(C)(OC)OC(=O)/C(=N\O)/C=O

DOS

IR

Vibrations