Geometry & MOs

Info

ID:	184075
PubChem CID:	77105538
Reduced:	NO5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	469.107183
ΔH_f, kcal/mol:	-139.77
Dipole, Da:	6.24
IP(EA), eV:	-8.82(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[5-fluoro-2-(1,3-thiazol-4-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1OC)/C=C/C(=O)NC2=CC=CC=C2)OC

DOS

IR

Vibrations