Geometry & MOs

Info

ID:	80738
PubChem CID:	49836628
Reduced:	ClFN4O4C26H30 (1)
Stoich.:	ABC4D4E26F30 (1)
Weight, g/mol:	269.137556
ΔH_f, kcal/mol:	-130.31
Dipole, Da:	8.11
IP(EA), eV:	-8.48(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(2-morpholin-4-ylethyl)-3-oxo-1H-pyrazol-5-yl]acetate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C/C(=C/2\C(=NN(C2=O)C3=C(C=C(C=C3)F)Cl)CC(=O)OC)/NCCCOC

DOS

IR

Vibrations