Geometry & MOs

Info

ID:	361144
PubChem CID:	127302088
Reduced:	SO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-40.64
Dipole, Da:	2.71
IP(EA), eV:	-8.58(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-2-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2(CCOCC2)CNC(=O)C3=CSC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations