Geometry & MOs

Info

ID:	83977
PubChem CID:	49863004
Reduced:	ClNOSH12C14 (1)
Stoich.:	ABCDE12F14 (1)
Weight, g/mol:	483.326106
ΔH_f, kcal/mol:	13.79
Dipole, Da:	5.92
IP(EA), eV:	-8.42(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluoropiperidin-1-yl)-3-methylpentan-3-yl]-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN/C(=C\2/C=C(C=CC2=O)Cl)/S

DOS

IR

Vibrations