Geometry & MOs

Info

ID:	317240
PubChem CID:	126634682
Reduced:	OS3N5C19H19 (1)
Stoich.:	AB3C5D19E19 (1)
Weight, g/mol:	344.246378
ΔH_f, kcal/mol:	80.88
Dipole, Da:	2.62
IP(EA), eV:	-8.38(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,10bS)-9-butoxy-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)CCC(=O)NN)SC4=CC=CS4

DOS

IR

Vibrations