Geometry & MOs

Info

ID:	419433
PubChem CID:	135108179
Reduced:	ClN6C15H21 (1)
Stoich.:	AB6C15D21 (1)
Weight, g/mol:	328.124549
ΔH_f, kcal/mol:	86.68
Dipole, Da:	6.2
IP(EA), eV:	-9.19(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpyridin-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCCN3C=NN=N3

DOS

IR

Vibrations