Geometry & MOs

Info

ID:	200479
PubChem CID:	79395368
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	237.118735
ΔH_f, kcal/mol:	-10.73
Dipole, Da:	2.0
IP(EA), eV:	-8.69(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)CN1CCN(CC1)C2=NC=CS2

DOS

IR

Vibrations