Geometry & MOs

Info

ID:	291733
PubChem CID:	113461039
Reduced:	BrNO3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	265.049884
ΔH_f, kcal/mol:	-73.55
Dipole, Da:	0.99
IP(EA), eV:	-9.67(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-3-nitrophenyl)-4-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC=N1)C2=CC(=CC(=C2)C)Br

DOS

IR

Vibrations