Geometry & MOs

Info

ID:	320917
PubChem CID:	126664240
Reduced:	BrFO2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-118.42
Dipole, Da:	3.71
IP(EA), eV:	-9.61(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-tert-butylpyrazol-4-yl)-2,3-dimethyl-1H-indazol-4-one

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1F)Br)OC)O

DOS

IR

Vibrations