Geometry & MOs

Info

ID:	181003
PubChem CID:	76714888
Reduced:	O4C9H14 (1)
Stoich.:	A4B9C14 (1)
Weight, g/mol:	280.215078
ΔH_f, kcal/mol:	-182.09
Dipole, Da:	3.33
IP(EA), eV:	-10.2(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclohexylmethyl)-4-hydroxy-1-piperazin-1-ylpent-4-en-1-one

Drug info:

PubChemData

Smile

C1CC(=O)OC1C(CCCC=O)O

DOS

IR

Vibrations