Geometry & MOs

Info

ID:	197636
PubChem CID:	78983853
Reduced:	NO2C16H33 (1)
Stoich.:	AB2C16D33 (1)
Weight, g/mol:	271.189592
ΔH_f, kcal/mol:	-142.22
Dipole, Da:	2.72
IP(EA), eV:	-8.67(2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[1-(ethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)CCN(CC(COC(C)C)O)C1CCCC1

DOS

IR

Vibrations