Geometry & MOs

Info

ID:	372867
PubChem CID:	131306277
Reduced:	BrClOSH10C11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-14.56
Dipole, Da:	2.85
IP(EA), eV:	-8.53(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-methylpropoxy)-3,4-dihydro-1H-naphthalen-2-one

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C(=C1)Br)SC=C2CCl

DOS

IR

Vibrations