Geometry & MOs

Info

ID:	52402
PubChem CID:	12015257
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-109.6
Dipole, Da:	4.71
IP(EA), eV:	-8.32(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-5-(1-methyl-2-oxo-3H-indol-3-yl)-3-oxohexanoate

Drug info:

PubChemData

Smile

CC(C)(CC(=O)CC(=O)OC)C1=CN(C2=CC=CC=C21)C

DOS

IR

Vibrations