Geometry & MOs

Info

ID:	314890
PubChem CID:	126623910
Reduced:	NOSC15H21 (1)
Stoich.:	ABCD15E21 (1)
Weight, g/mol:	263.134385
ΔH_f, kcal/mol:	-47.54
Dipole, Da:	5.15
IP(EA), eV:	-9.31(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-2-ethyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CCC1C(NC(=O)C2=C1SC=C2)C3CCCCC3

DOS

IR

Vibrations