Geometry & MOs

Info

ID:	261092
PubChem CID:	103217028
Reduced:	ClINOH11C16 (1)
Stoich.:	ABCDE11F16 (1)
Weight, g/mol:	310.058357
ΔH_f, kcal/mol:	40.0
Dipole, Da:	2.63
IP(EA), eV:	-9.56(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol

Drug info:

PubChemData

Smile

C1=CC2=C(C=C(C=C2)C(C3=CC(=C(C=C3)I)Cl)O)N=C1

DOS

IR

Vibrations