Geometry & MOs

Info

ID:	293078
PubChem CID:	117373408
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-105.57
Dipole, Da:	8.66
IP(EA), eV:	-9.27(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[4-(3-oxopyrazolidin-1-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1N2CCN(C2=O)C)C(=O)O

DOS

IR

Vibrations