Geometry & MOs

Info

ID:	184079
PubChem CID:	77105697
Reduced:	ON2H12C16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	448.171082
ΔH_f, kcal/mol:	26.59
Dipole, Da:	2.82
IP(EA), eV:	-8.59(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2=C(C3=C(C=C2)C(=CN3)C4=CC=CC=C4)C(=O)N1

DOS

IR

Vibrations