Geometry & MOs

Info

ID:	433788
PubChem CID:	135173930
Reduced:	NC16H17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	199.120843
ΔH_f, kcal/mol:	99.84
Dipole, Da:	1.59
IP(EA), eV:	-8.85(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-methoxybutoxy)ethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CNC[C@H]1C2[C@]1(C2)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations