Geometry & MOs

Info

ID:	317245
PubChem CID:	126634718
Reduced:	ON3S4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	318.176585
ΔH_f, kcal/mol:	69.26
Dipole, Da:	2.51
IP(EA), eV:	-8.36(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methylsulfanyl-5-piperidin-4-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

Drug info:

PubChemData

Smile

CN(C1=CC=CC2=C1NC(=C2)C3=NC=C(S3)CSCCO)SC4=CC=CS4

DOS

IR

Vibrations