Geometry & MOs

Info

ID:	317241
PubChem CID:	126634702
Reduced:	N2O2C21H32 (1)
Stoich.:	A2B2C21D32 (1)
Weight, g/mol:	365.199094
ΔH_f, kcal/mol:	-86.61
Dipole, Da:	2.8
IP(EA), eV:	-7.82(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,10bS)-5-(oxan-4-yl)-9-phenoxy-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

Drug info:

PubChemData

Smile

CCCCOC1=CC2=C(C=C1)NC([C@H]3[C@@H]2OCCC3)C4CCNCC4

DOS

IR

Vibrations