Geometry & MOs

Info

ID:	310015
PubChem CID:	126572808
Reduced:	ClN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	199.084458
ΔH_f, kcal/mol:	-117.44
Dipole, Da:	7.4
IP(EA), eV:	-8.85(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-dimethylpropoxy)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)OC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C(C3=NC(=CC(=C3C=C2)Cl)C)C

DOS

IR

Vibrations