Geometry & MOs

Info

ID:	376238
PubChem CID:	134222248
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	-160.69
Dipole, Da:	9.23
IP(EA), eV:	-9.53(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(CCN(C1=C(C(=CC(=C1)O)C)C#N)S(=O)(=O)C2=CC=CC=C2)OCC

DOS

IR

Vibrations