Geometry & MOs

Info

ID:	199118
PubChem CID:	79201298
Reduced:	NOC5H11 (2)
Stoich.:	ABC5D11 (2)
Weight, g/mol:	242.199428
ΔH_f, kcal/mol:	-118.13
Dipole, Da:	3.86
IP(EA), eV:	-8.94(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CCCO)N(C)C

DOS

IR

Vibrations