Geometry & MOs

Info

ID:	369870
PubChem CID:	127336529
Reduced:	ClOSN4C17H23 (1)
Stoich.:	ABCD4E17F23 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-14.18
Dipole, Da:	3.32
IP(EA), eV:	-9.13(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(3-quinolin-4-ylpropanoyl)piperidin-4-yl]methyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CCCN(C2)C(=O)CCC3=CC(=CS3)Cl

DOS

IR

Vibrations