Geometry & MOs

Info

ID:	418886
PubChem CID:	135107079
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	325.215413
ΔH_f, kcal/mol:	29.36
Dipole, Da:	3.06
IP(EA), eV:	-9.08(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(6-ethyl-4-methylquinolin-2-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=NOC(=N2)C3CC3)OCC4=CC=CC=N4

DOS

IR

Vibrations