Geometry & MOs

Info

ID:	257626
PubChem CID:	103147468
Reduced:	NO2F3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	230.112979
ΔH_f, kcal/mol:	-243.04
Dipole, Da:	3.63
IP(EA), eV:	-9.56(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yloxy-4-(2,2,2-trifluoroethoxy)butan-2-ol

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=CC=N2)C(CCOCC(F)(F)F)O

DOS

IR

Vibrations