Geometry & MOs

Info

ID:	433539
PubChem CID:	135173679
Reduced:	SN2O6H20C22 (1)
Stoich.:	AB2C6D20E22 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-84.81
Dipole, Da:	4.68
IP(EA), eV:	-9.46(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-methylphenoxy)butoxymethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)COC2=COC(=CC2=O)CN3CC4=C(C3)C=C(C=C4)N=O

DOS

IR

Vibrations