Geometry & MOs

Info

ID:	53412
PubChem CID:	14714944
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	-135.54
Dipole, Da:	2.82
IP(EA), eV:	-9.48(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations