Geometry & MOs

Info

ID:	363973
PubChem CID:	127313642
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	279.1293
ΔH_f, kcal/mol:	27.9
Dipole, Da:	3.58
IP(EA), eV:	-8.75(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-(3,3-dimethylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=CC(=N2)C(=O)N3CCCC(C3)(C)C)C4=CC=CC=C4

DOS

IR

Vibrations