Geometry & MOs

Info

ID:	88909
PubChem CID:	49957628
Reduced:	ClN2O2H19C22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	418.168128
ΔH_f, kcal/mol:	9.8
Dipole, Da:	3.44
IP(EA), eV:	-8.96(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OCC2=NN=C(O2)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations