Geometry & MOs

Info

ID:	376122
PubChem CID:	134222125
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-66.39
Dipole, Da:	1.65
IP(EA), eV:	-8.93(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CNCC(O1)COCC2=CC=CC=C2

DOS

IR

Vibrations