Geometry & MOs

Info

ID:	191420
PubChem CID:	78144866
Reduced:	SN2O3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	344.246378
ΔH_f, kcal/mol:	-131.53
Dipole, Da:	8.83
IP(EA), eV:	-8.65(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(C4C3OCC4)C5CCCC5

DOS

IR

Vibrations