Geometry & MOs

Info

ID:	390906
PubChem CID:	135001538
Reduced:	OH8C9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	258.125594
ΔH_f, kcal/mol:	-17.17
Dipole, Da:	5.5
IP(EA), eV:	-9.04(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetyl-1-ethenyl-1,3-dihydroindene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CCC2(C3=C(C=CC=C3C(=O)C4=C2C1=CO4)C)C

DOS

IR

Vibrations