Geometry & MOs

Info

ID:	339776
PubChem CID:	127261785
Reduced:	NC18H25 (1)
Stoich.:	AB18C25 (1)
Weight, g/mol:	229.090292
ΔH_f, kcal/mol:	9.01
Dipole, Da:	2.02
IP(EA), eV:	-8.67(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-5-[(1E)-3-methylbuta-1,3-dienyl]-1,2-oxazole

Drug info:

PubChemData

Smile

C1CCC2CN(CCC2C1)C/C=C/C3=CC=CC=C3

DOS

IR

Vibrations