Geometry & MOs

Info

ID:	31227
PubChem CID:	855271
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	42.83
Dipole, Da:	5.35
IP(EA), eV:	-8.71(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-2-[(3R)-3-methylpiperidin-1-yl]quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C3C=CC(=CC3=N2)OC)C#N

DOS

IR

Vibrations