Geometry & MOs

Info

ID:	55067
PubChem CID:	17389724
Reduced:	NO2H21C23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	257.056719
ΔH_f, kcal/mol:	5.74
Dipole, Da:	1.76
IP(EA), eV:	-9.37(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-4-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-3-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)[C@@H](CC1=CC=CC=C1)N=C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations