Geometry & MOs

Info

ID:	261087
PubChem CID:	103216717
Reduced:	ClIOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	302.00882
ΔH_f, kcal/mol:	-41.57
Dipole, Da:	3.46
IP(EA), eV:	-9.5(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol

Drug info:

PubChemData

Smile

CCCCCC(C1=CC(=C(C=C1)I)Cl)O

DOS

IR

Vibrations