Geometry & MOs

Info

ID:	412506
PubChem CID:	135085401
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-108.95
Dipole, Da:	7.03
IP(EA), eV:	-10.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,4-dimethylindole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)CC(=O)C1=CC=CC=C1

DOS

IR

Vibrations