Geometry & MOs

Info

ID:	55284
PubChem CID:	17390001
Reduced:	BrClNC12H17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-29.62
Dipole, Da:	2.6
IP(EA), eV:	-8.03(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6,7-dimethyl-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

C1CCC(NCC1)C2=CC=CC=C2Br.Cl

DOS

IR

Vibrations