Geometry & MOs

Info

ID:	372390
PubChem CID:	131296850
Reduced:	BrFNO2H9C10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	272.98007
ΔH_f, kcal/mol:	-79.9
Dipole, Da:	3.41
IP(EA), eV:	-9.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-bromo-5-fluoro-2,3-dihydro-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1O)CCC#N)F)Br

DOS

IR

Vibrations