Geometry & MOs

Info

ID:	293079
PubChem CID:	117373415
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-98.09
Dipole, Da:	1.72
IP(EA), eV:	-9.2(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-oxopyrazolidin-1-yl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)N2CCC(=O)N2)C(=O)O

DOS

IR

Vibrations