Geometry & MOs

Info

ID:	257637
PubChem CID:	103147508
Reduced:	N2O2F3C9H13 (1)
Stoich.:	A2B2C3D9E13 (1)
Weight, g/mol:	284.08357
ΔH_f, kcal/mol:	-224.59
Dipole, Da:	6.92
IP(EA), eV:	-9.44(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-difluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol

Drug info:

PubChemData

Smile

CN1C=CN=C1C(CCOCC(F)(F)F)O

DOS

IR

Vibrations