Geometry & MOs

Info

ID:	89072
PubChem CID:	49959138
Reduced:	BrN4O6H11C19 (1)
Stoich.:	AB4C6D11E19 (1)
Weight, g/mol:	386.06299
ΔH_f, kcal/mol:	50.91
Dipole, Da:	7.02
IP(EA), eV:	-9.06(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-bromonaphthalen-2-yl)oxymethyl]-5-cyclohexyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2Br)OCC3=NN=C(O3)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations