Geometry & MOs

Info

ID:	203844
PubChem CID:	79880798
Reduced:	FNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	359.99211
ΔH_f, kcal/mol:	-65.29
Dipole, Da:	2.36
IP(EA), eV:	-9.29(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-2,5-dimethylpyrazol-3-yl)methoxy]-3,5-difluorobenzoic acid

Drug info:

PubChemData

Smile

C#CCCNC(=O)C1=C(C=CC(=C1)F)O

DOS

IR

Vibrations