Geometry & MOs

Info

ID:	88968
PubChem CID:	49958317
Reduced:	BrN2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	297.074956
ΔH_f, kcal/mol:	3.36
Dipole, Da:	4.53
IP(EA), eV:	-9.34(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-nitrophenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN=C(O2)COC3=C(C=C(C=C3C)Br)C

DOS

IR

Vibrations