Geometry & MOs

Info

ID:	224246
PubChem CID:	85340718
Reduced:	O3C15H16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-96.05
Dipole, Da:	3.31
IP(EA), eV:	-9.31(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-3-en-2-ol

Drug info:

PubChemData

Smile

C1CC(C(=O)C1)C(=O)OCC=CC2=CC=CC=C2

DOS

IR

Vibrations