Geometry & MOs

Info

ID:	49280
PubChem CID:	11532622
Reduced:	O3F4N6C19H20 (1)
Stoich.:	A3B4C6D19E20 (1)
Weight, g/mol:	456.216141
ΔH_f, kcal/mol:	-219.71
Dipole, Da:	4.79
IP(EA), eV:	-9.13(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoquinolin-8-yl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)CN(C1=NC(=NC=C1)C#N)NC(=O)NC2=CC=CC=C2F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations