Geometry & MOs

Info

ID:	402544
PubChem CID:	135056335
Reduced:	ClFNO2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	258.157957
ΔH_f, kcal/mol:	-95.06
Dipole, Da:	0.8
IP(EA), eV:	-8.66(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)Cl)NC2=CC=C(C=C2)F

DOS

IR

Vibrations