Geometry & MOs

Info

ID:	197333
PubChem CID:	78952949
Reduced:	NC16H27 (1)
Stoich.:	AB16C27 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-19.27
Dipole, Da:	1.24
IP(EA), eV:	-8.9(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,5-dimethylphenoxy)methyl]-5-propyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCCCCCCN[C@H](C)C1=CC=CC=C1

DOS

IR

Vibrations