Geometry & MOs

Info

ID:	372171
PubChem CID:	131294092
Reduced:	N2O2H8C11 (1)
Stoich.:	A2B2C8D11 (1)
Weight, g/mol:	282.98441
ΔH_f, kcal/mol:	-16.89
Dipole, Da:	3.94
IP(EA), eV:	-9.32(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-bromo-6-hydroxy-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C2C=C(NC2=C1)CC#N)C(=O)O

DOS

IR

Vibrations