Geometry & MOs

Info

ID:	47748
PubChem CID:	10535046
Reduced:	NOC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	166.079393
ΔH_f, kcal/mol:	-15.95
Dipole, Da:	3.81
IP(EA), eV:	-9.08(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-fluorophenyl)but-2-en-1-ol

Drug info:

PubChemData

Smile

C[C@H]1[C@@]2(C[C@H]3C=C[C@@]2(O3)CN1)C

DOS

IR

Vibrations