Geometry & MOs

Info

ID:	292805
PubChem CID:	117359156
Reduced:	NF2O3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	243.064391
ΔH_f, kcal/mol:	-196.62
Dipole, Da:	3.81
IP(EA), eV:	-9.02(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methyl-1,2-benzoxazol-4-yl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C(=C21)C(CC(=O)O)N)F)F

DOS

IR

Vibrations