Geometry & MOs

Info

ID:	24254
PubChem CID:	608826
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-69.78
Dipole, Da:	8.95
IP(EA), eV:	-8.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2,3-dimethylindole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C(=C(C2=C1C=CC(=C2)C(=O)O)C)C

DOS

IR

Vibrations