Geometry & MOs

Info

ID:	28853
PubChem CID:	830058
Reduced:	NO5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	305.126323
ΔH_f, kcal/mol:	-186.66
Dipole, Da:	6.28
IP(EA), eV:	-9.1(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-ethoxycarbonyl-1,2-dimethylindol-5-yl)oxypropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)C=CC(=C2)OCC(=O)N)C(=O)OC(C)C

DOS

IR

Vibrations