Geometry & MOs

Info

ID:	141500
PubChem CID:	52884828
Reduced:	O3C15H16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	258.125594
ΔH_f, kcal/mol:	-96.08
Dipole, Da:	1.89
IP(EA), eV:	-9.44(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] (E)-but-2-enoate

Drug info:

PubChemData

Smile

C/C=C/C(=O)OCC(=O)C1=CC2=C(CCC2)C=C1

DOS

IR

Vibrations