Geometry & MOs

Info

ID:	428618
PubChem CID:	135167798
Reduced:	NOC8H17 (2)
Stoich.:	ABC8D17 (2)
Weight, g/mol:	286.262028
ΔH_f, kcal/mol:	-139.59
Dipole, Da:	2.62
IP(EA), eV:	-8.06(2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-tert-butylpiperazin-1-yl)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)N1CCN(CC1)C[C@@H](CCOC(C)(C)C)O

DOS

IR

Vibrations