Geometry & MOs

Info

ID:	323251
PubChem CID:	126673779
Reduced:	BrFN2O3H6C7 (1)
Stoich.:	ABC2D3E6F7 (1)
Weight, g/mol:	240.111007
ΔH_f, kcal/mol:	-65.83
Dipole, Da:	3.05
IP(EA), eV:	-9.35(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-methyl-2-pyrazol-1-ylpropanedioate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1[N+](=O)[O-])N)F)Br

DOS

IR

Vibrations