Geometry & MOs

Info

ID:	343827
PubChem CID:	127267003
Reduced:	ON5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	29.07
Dipole, Da:	7.27
IP(EA), eV:	-8.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-[[2-(4-hydroxybutoxy)phenyl]methyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC(C)(CNCC1=NN=CN1C2=CC=CC=C2)N3CCOCC3

DOS

IR

Vibrations