Geometry & MOs

Info

ID:	320944
PubChem CID:	126664275
Reduced:	BrFON2H6C8 (1)
Stoich.:	ABCD2E6F8 (1)
Weight, g/mol:	239.98983
ΔH_f, kcal/mol:	-11.31
Dipole, Da:	7.11
IP(EA), eV:	-9.02(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2,3-dimethyl-1H-indazol-4-one

Drug info:

PubChemData

Smile

CN1C(=C2C(=CC(=CC2=O)Br)N1)F

DOS

IR

Vibrations