Geometry & MOs

Info

ID:	240002
PubChem CID:	93375565
Reduced:	N2O3C12H22 (1)
Stoich.:	A2B3C12D22 (1)
Weight, g/mol:	257.173942
ΔH_f, kcal/mol:	-128.7
Dipole, Da:	3.3
IP(EA), eV:	-9.06(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-methyl-3-[methyl-(2-piperazin-1-ylacetyl)amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](CN(C)C(=O)CCNC1CC1)C(=O)OC

DOS

IR

Vibrations