Geometry & MOs

Info

ID:	171723
PubChem CID:	75417115
Reduced:	ClN2O5H11C15 (1)
Stoich.:	AB2C5D11E15 (1)
Weight, g/mol:	258.090183
ΔH_f, kcal/mol:	-95.24
Dipole, Da:	10.85
IP(EA), eV:	-9.76(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-aminopiperidin-1-yl)butanoic acid;dihydrochloride

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)C(=O)O)Cl)[N+](=O)[O-]

DOS

IR

Vibrations