Geometry & MOs

Info

ID:	320927
PubChem CID:	126664258
Reduced:	BrFO2N3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	254.00548
ΔH_f, kcal/mol:	-68.07
Dipole, Da:	5.44
IP(EA), eV:	-9.06(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-methoxy-2,3-dimethylindazole

Drug info:

PubChemData

Smile

C[C@H](C1CC(=O)NC1)OC2=CC(=CC3=NN(C(=C23)F)C)Br

DOS

IR

Vibrations