Geometry & MOs

Info

ID:	336709
PubChem CID:	127255716
Reduced:	ClOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	194.049843
ΔH_f, kcal/mol:	-39.3
Dipole, Da:	4.95
IP(EA), eV:	-9.48(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-4-ethyl-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CCC1=C2CCC(=O)C2=CC(=C1)Cl

DOS

IR

Vibrations