Geometry & MOs

Info

ID:	282534
PubChem CID:	103929907
Reduced:	OSN3C11H19 (1)
Stoich.:	ABC3D11E19 (1)
Weight, g/mol:	271.225977
ΔH_f, kcal/mol:	-41.35
Dipole, Da:	3.24
IP(EA), eV:	-9.4(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)[C@@H](C(C)(C)C)N

DOS

IR

Vibrations