Geometry & MOs

Info

ID:	88938
PubChem CID:	49957932
Reduced:	NOC10H10 (2)
Stoich.:	ABC10D10 (2)
Weight, g/mol:	402.05791
ΔH_f, kcal/mol:	11.37
Dipole, Da:	4.08
IP(EA), eV:	-8.97(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C2=NN=C(O2)COC3=CC(=CC(=C3)C)C

DOS

IR

Vibrations