Geometry & MOs

Info

ID:	308161
PubChem CID:	125317208
Reduced:	BrNO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	281.00514
ΔH_f, kcal/mol:	-27.84
Dipole, Da:	1.48
IP(EA), eV:	-9.55(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-5-bromo-2-methyl-2H-indole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=C(C=CC2=N[C@@H]1C)Br

DOS

IR

Vibrations