Geometry & MOs

Info

ID:	89038
PubChem CID:	49958839
Reduced:	BrN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	300.126263
ΔH_f, kcal/mol:	20.54
Dipole, Da:	6.77
IP(EA), eV:	-9.14(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NN=C(O2)CC3=CC=CC=C3)Br

DOS

IR

Vibrations