Geometry & MOs

Info

ID:	88947
PubChem CID:	49958057
Reduced:	NOH11C12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	35.62
Dipole, Da:	2.9
IP(EA), eV:	-8.71(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations