Geometry & MOs

Info

ID:	21768
PubChem CID:	589859
Reduced:	NO5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	289.095023
ΔH_f, kcal/mol:	-185.5
Dipole, Da:	1.03
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-acetyl-5-acetyloxyindol-3-yl)acetate

Drug info:

PubChemData

Smile

CC(=O)N1C=C(C2=C1C=CC(=C2)OC(=O)C)CC(=O)OC

DOS

IR

Vibrations