Geometry & MOs

Info

ID:	89196
PubChem CID:	49959869
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	414.194343
ΔH_f, kcal/mol:	-26.78
Dipole, Da:	4.57
IP(EA), eV:	-8.68(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(O2)/C=C/C3=CC=CC=C3OC

DOS

IR

Vibrations