Geometry & MOs

Info

ID:	200246
PubChem CID:	79371781
Reduced:	BrFO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	290.111836
ΔH_f, kcal/mol:	-95.87
Dipole, Da:	6.12
IP(EA), eV:	-8.87(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,3-difluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(CCC2(CC3=CC(=C(C=C3)F)Br)O)C=C1

DOS

IR

Vibrations