Geometry & MOs

Info

ID:	261084
PubChem CID:	103216614
Reduced:	ClIN2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	252.077342
ΔH_f, kcal/mol:	86.84
Dipole, Da:	3.0
IP(EA), eV:	-9.3(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol

Drug info:

PubChemData

Smile

CNC(C1=CC(=C(C=C1)I)Cl)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations