Geometry & MOs

Info

ID:	89065
PubChem CID:	49959105
Reduced:	N2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-6.99
Dipole, Da:	2.49
IP(EA), eV:	-9.56(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-[(E)-2-(4-methylphenyl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=NN=C(O1)CCC2=CC=CC=C2

DOS

IR

Vibrations