Geometry & MOs

Info

ID:	52048
PubChem CID:	12014824
Reduced:	NOH6C7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	200.152478
ΔH_f, kcal/mol:	45.68
Dipole, Da:	3.66
IP(EA), eV:	-9.35(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethylpiperazin-1-yl)butanoic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)[N+](=NC2=CC=CC=C2)[O-]

DOS

IR

Vibrations