Geometry & MOs

Info

ID:	48098
PubChem CID:	10537147
Reduced:	ClOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	223.98368
ΔH_f, kcal/mol:	-52.32
Dipole, Da:	1.83
IP(EA), eV:	-9.31(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methyl-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CC[C@H]1[C@@H](CCO[C@@H]1C2=CC=CC=C2)Cl

DOS

IR

Vibrations