Geometry & MOs

Info

ID:	257614
PubChem CID:	103147362
Reduced:	NO2F3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	238.081679
ΔH_f, kcal/mol:	-216.83
Dipole, Da:	6.59
IP(EA), eV:	-9.26(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-ol

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C=C(C=C2)C(CCOCC(F)(F)F)O

DOS

IR

Vibrations