Geometry & MOs

Info

ID:	336711
PubChem CID:	127255718
Reduced:	BrOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	285.98546
ΔH_f, kcal/mol:	-26.05
Dipole, Da:	5.45
IP(EA), eV:	-9.51(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-6-iodo-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CCC1=C2CCC(=O)C2=C(C=C1)Br

DOS

IR

Vibrations