Geometry & MOs

Info

ID:	371975
PubChem CID:	131283598
Reduced:	BrFO4H6C9 (1)
Stoich.:	ABC4D6E9 (1)
Weight, g/mol:	206.069142
ΔH_f, kcal/mol:	-170.72
Dipole, Da:	4.73
IP(EA), eV:	-10.13(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-methyl-3-oxo-2H-indazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C(=O)C1=C(C(=C(C=C1)O)Br)F

DOS

IR

Vibrations