Geometry & MOs

Info

ID:	378954
PubChem CID:	134228544
Reduced:	FIO3N4C13H16 (1)
Stoich.:	ABC3D4E13F16 (1)
Weight, g/mol:	268.00114
ΔH_f, kcal/mol:	-61.64
Dipole, Da:	2.8
IP(EA), eV:	-8.82(-2.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-7-fluoro-2-methyl-3-prop-1-en-2-ylindazole

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1F)OCCOI)N2C(=O)N(N=N2)C

DOS

IR

Vibrations