Geometry & MOs

Info

ID:	31287
PubChem CID:	855530
Reduced:	N2O3H14C18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	327.140533
ΔH_f, kcal/mol:	-3.19
Dipole, Da:	6.3
IP(EA), eV:	-8.74(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-2-(2-piperidin-1-ylethylsulfanyl)quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=C(C=C3C=C(C=CC3=N2)OC)C#N

DOS

IR

Vibrations