Geometry & MOs

Info

ID:	278099
PubChem CID:	103833358
Reduced:	O2N3C13H25 (1)
Stoich.:	A2B3C13D25 (1)
Weight, g/mol:	227.199762
ΔH_f, kcal/mol:	-75.48
Dipole, Da:	1.25
IP(EA), eV:	-8.83(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCNC(=O)C1CC(CN1)OC)C2CC2

DOS

IR

Vibrations