Geometry & MOs

Info

ID:	121471
PubChem CID:	50769507
Reduced:	F2O2N3H15C18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	472.250812
ΔH_f, kcal/mol:	-51.33
Dipole, Da:	1.9
IP(EA), eV:	-8.48(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)C3=NOC(=N3)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations