Geometry & MOs

Info

ID:	88946
PubChem CID:	49958055
Reduced:	Br2N2O3H18C19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	370.168128
ΔH_f, kcal/mol:	-22.13
Dipole, Da:	4.14
IP(EA), eV:	-8.85(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=C(C=C(C=C3C)Br)Br)C

DOS

IR

Vibrations