Geometry & MOs

Info

ID:	320943
PubChem CID:	126664274
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	243.96475
ΔH_f, kcal/mol:	-16.27
Dipole, Da:	1.57
IP(EA), eV:	-8.58(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-fluoro-2-methyl-1H-indazol-4-one

Drug info:

PubChemData

Smile

CC1=C2C(=NN1C)C=C(OC2=O)C3=CN(N=C3)C(C)(C)C

DOS

IR

Vibrations