Geometry & MOs

Info

ID:	283311
PubChem CID:	103973307
Reduced:	O2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	-156.39
Dipole, Da:	4.75
IP(EA), eV:	-9.67(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-3-oxo-2-[(1-phenylpyrazol-4-yl)methyl]propanoic acid

Drug info:

PubChemData

Smile

COC(=O)C(CCC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations