Geometry & MOs

Info

ID:	411675
PubChem CID:	135084509
Reduced:	O3C13H14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	294.98441
ΔH_f, kcal/mol:	-43.35
Dipole, Da:	3.53
IP(EA), eV:	-9.55(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-bromo-3-formyl-1H-indol-2-yl)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@@H](CC#CC=O)O

DOS

IR

Vibrations