Geometry & MOs

Info

ID:	277912
PubChem CID:	103831837
Reduced:	OSN2C12H24 (1)
Stoich.:	ABC2D12E24 (1)
Weight, g/mol:	227.199762
ΔH_f, kcal/mol:	-88.01
Dipole, Da:	1.13
IP(EA), eV:	-8.65(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(4-ethylpiperazin-1-yl)hexan-1-one

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NCC1(CCCS1)C)N

DOS

IR

Vibrations