Geometry & MOs

Info

ID:	257627
PubChem CID:	103147469
Reduced:	F3O3C9H17 (1)
Stoich.:	A3B3C9D17 (1)
Weight, g/mol:	312.074007
ΔH_f, kcal/mol:	-316.23
Dipole, Da:	5.53
IP(EA), eV:	-10.0(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol

Drug info:

PubChemData

Smile

CC(C)OCC(CCOCC(F)(F)F)O

DOS

IR

Vibrations