Geometry & MOs

Info

ID:	293007
PubChem CID:	117369766
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	247.084458
ΔH_f, kcal/mol:	-100.03
Dipole, Da:	4.69
IP(EA), eV:	-8.82(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetate

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C(=C2)C3(CC3)N=C=O)O)OC1

DOS

IR

Vibrations