Geometry & MOs

Info

ID:	373708
PubChem CID:	131319032
Reduced:	BrFNO2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	284.98007
ΔH_f, kcal/mol:	-83.2
Dipole, Da:	3.25
IP(EA), eV:	-8.79(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-bromo-7-fluoro-1-methylindole-2-carboxylate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC=C2F)C(=C1C(=O)OC)Br

DOS

IR

Vibrations