Geometry & MOs

Info

ID:	8430
PubChem CID:	77656
Reduced:	NO2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	258.157957
ΔH_f, kcal/mol:	-184.54
Dipole, Da:	1.06
IP(EA), eV:	-8.6(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-(3-methoxy-3-oxopropyl)piperazin-1-yl]propanoate

Drug info:

PubChemData

Smile

COC(=O)CCN1CCN(CC1)CCC(=O)OC

DOS

IR

Vibrations