Geometry & MOs

Info

ID:	296280
PubChem CID:	117565399
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	228.147393
ΔH_f, kcal/mol:	-12.76
Dipole, Da:	8.04
IP(EA), eV:	-9.26(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(4-methylpiperazine-1-carbonyl)butanoic acid

Drug info:

PubChemData

Smile

C1C(CO1)(CN)C(=O)NC2=CC=C(C=C2)C#N

DOS

IR

Vibrations