Geometry & MOs

Info

ID:	29223
PubChem CID:	832411
Reduced:	ON3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-20.52
Dipole, Da:	1.36
IP(EA), eV:	-8.87(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methoxy-1-methylindole-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCCCC[C@H](CCC1)NNC(=O)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations