Geometry & MOs

Info

ID:	31288
PubChem CID:	855532
Reduced:	OSN3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	26.85
Dipole, Da:	5.56
IP(EA), eV:	-8.74(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC2=NC(=C(C=C2C=C1)C#N)SCCN3CCCCC3

DOS

IR

Vibrations