Geometry & MOs

Info

ID:	278100
PubChem CID:	103833366
Reduced:	ON3C12H25 (1)
Stoich.:	AB3C12D25 (1)
Weight, g/mol:	227.199762
ΔH_f, kcal/mol:	-70.9
Dipole, Da:	3.7
IP(EA), eV:	-8.51(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-methylpentan-1-one

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1C)C)N

DOS

IR

Vibrations