Geometry & MOs

Info

ID:	59399
PubChem CID:	24853728
Reduced:	NO3C31H43 (1)
Stoich.:	AB3C31D43 (1)
Weight, g/mol:	314.106671
ΔH_f, kcal/mol:	-134.11
Dipole, Da:	4.01
IP(EA), eV:	-8.64(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]oxy]propan-1-ol

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)CC(COC2=CC=C(C=C2)C34CC5C[C@@](C3)(C[C@](C5)(C4)C)C)O

DOS

IR

Vibrations