Geometry & MOs

Info

ID:	436044
PubChem CID:	135193525
Reduced:	ClO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	421.188923
ΔH_f, kcal/mol:	-178.31
Dipole, Da:	1.54
IP(EA), eV:	-9.51(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[3-(2-ethoxy-2-oxoethyl)-2,5-dimethylindole-1-carbonyl]phenyl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC(=C(C=C1)C2(OCCO2)C)Cl

DOS

IR

Vibrations