Geometry & MOs

Info

ID:	303718
PubChem CID:	124490095
Reduced:	NO2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	272.173607
ΔH_f, kcal/mol:	-195.27
Dipole, Da:	0.35
IP(EA), eV:	-8.78(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN([C@@H](CN1CCC(=O)OC)C)CCC(=O)OC

DOS

IR

Vibrations