Geometry & MOs

Info

ID:	292915
PubChem CID:	117363886
Reduced:	ClO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	244.103021
ΔH_f, kcal/mol:	-134.5
Dipole, Da:	3.49
IP(EA), eV:	-9.28(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C(C)(C)CO)O)OC)Cl

DOS

IR

Vibrations