Geometry & MOs

Info

ID:	293246
PubChem CID:	117378542
Reduced:	O5C13H14 (1)
Stoich.:	A5B13C14 (1)
Weight, g/mol:	250.095357
ΔH_f, kcal/mol:	-165.26
Dipole, Da:	5.75
IP(EA), eV:	-8.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-[3-(2-methyl-3-oxopyrazolidin-1-yl)phenyl]acetic acid

Drug info:

PubChemData

Smile

C1CC1C(CC(=O)O)C2=CC3=C(C=C2O)OCO3

DOS

IR

Vibrations