Geometry & MOs

Info

ID:	164785
PubChem CID:	74452709
Reduced:	ClN4O4C22H23 (1)
Stoich.:	AB4C4D22E23 (1)
Weight, g/mol:	308.17743
ΔH_f, kcal/mol:	-72.42
Dipole, Da:	3.93
IP(EA), eV:	-9.02(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-ethyl-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CN(C)CCN(CC1C=C2C=C3C(=CC2=NC1=O)OCO3)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations