Geometry & MOs

Info

ID:	336710
PubChem CID:	127255717
Reduced:	ClOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	237.99933
ΔH_f, kcal/mol:	-38.22
Dipole, Da:	5.44
IP(EA), eV:	-9.42(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations