Geometry & MOs

Info

ID:	89209
PubChem CID:	49959909
Reduced:	BrN3O4H12C16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	361.99161
ΔH_f, kcal/mol:	19.68
Dipole, Da:	3.19
IP(EA), eV:	-9.29(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-iodo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])Br

DOS

IR

Vibrations