Geometry & MOs

Info

ID:	130414
PubChem CID:	51075868
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	333.078327
ΔH_f, kcal/mol:	-48.71
Dipole, Da:	4.45
IP(EA), eV:	-9.25(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-nitropyridin-3-yl)oxypropan-1-one

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=C(N=C(S1)C)C

DOS

IR

Vibrations