Geometry & MOs

Info

ID:	70246
PubChem CID:	48409707
Reduced:	SF3N3O4C17H20 (1)
Stoich.:	AB3C3D4E17F20 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-266.79
Dipole, Da:	6.26
IP(EA), eV:	-9.58(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations