Geometry & MOs

Info

ID:	167886
PubChem CID:	74890484
Reduced:	BBrFO4H7C8 (1)
Stoich.:	ABCD4E7F8 (1)
Weight, g/mol:	332.8823
ΔH_f, kcal/mol:	-254.06
Dipole, Da:	1.6
IP(EA), eV:	-10.21(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,4-dibromo-1H-indole-6-carboxylate

Drug info:

PubChemData

Smile

B(C1=C(C(=C(C=C1)Br)C(=O)OC)F)(O)O

DOS

IR

Vibrations