Geometry & MOs

Info

ID:	332557
PubChem CID:	127250843
Reduced:	F2O3N5C22H23 (1)
Stoich.:	A2B3C5D22E23 (1)
Weight, g/mol:	442.140783
ΔH_f, kcal/mol:	-114.71
Dipole, Da:	4.37
IP(EA), eV:	-8.98(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine-4-carbonyl]-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations