Geometry & MOs

Info

ID:	296189
PubChem CID:	117559807
Reduced:	NCl2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	228.183778
ΔH_f, kcal/mol:	-95.06
Dipole, Da:	4.89
IP(EA), eV:	-8.89(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-ethylpiperazin-1-yl)-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C(=O)OC)NC1=CC(=CC(=C1)Cl)Cl

DOS

IR

Vibrations