Geometry & MOs

Info

ID:	294577
PubChem CID:	117471398
Reduced:	BrFNO3C10H11 (1)
Stoich.:	ABCD3E10F11 (1)
Weight, g/mol:	291.00072
ΔH_f, kcal/mol:	-160.62
Dipole, Da:	4.92
IP(EA), eV:	-9.01(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-(1-isocyanatocyclopropyl)-1-methylindazole

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1O)C(CCC(=O)O)N)F)Br

DOS

IR

Vibrations