Geometry & MOs

Info

ID:	368767
PubChem CID:	127330068
Reduced:	ClN2O4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	350.164185
ΔH_f, kcal/mol:	-154.85
Dipole, Da:	5.17
IP(EA), eV:	-9.38(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone

Drug info:

PubChemData

Smile

C1COCC1COCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations