Geometry & MOs

Info

ID:	137703
PubChem CID:	52246934
Reduced:	FN2O2C17H23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-133.91
Dipole, Da:	6.72
IP(EA), eV:	-9.28(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CCCCC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)F

DOS

IR

Vibrations