Geometry & MOs

Info

ID:	419656
PubChem CID:	135108671
Reduced:	NO3C22H33 (1)
Stoich.:	AB3C22D33 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-118.16
Dipole, Da:	2.12
IP(EA), eV:	-8.15(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxyquinolin-4-yl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CN2CCC[C@@]3(C2)CCC[C@H]3O)OCC(=C)C

DOS

IR

Vibrations