Geometry & MOs

Info

ID:	329563
PubChem CID:	126738390
Reduced:	ClFO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	292.066636
ΔH_f, kcal/mol:	-107.19
Dipole, Da:	1.73
IP(EA), eV:	-9.42(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-5-fluorophenoxy)-7-methyl-2,3-dihydro-1H-inden-1-ol

Drug info:

PubChemData

Smile

CC1=C2[C@H](CCC2=C(C=C1)OC3=CC(=CC(=C3)Cl)F)O

DOS

IR

Vibrations