Geometry & MOs

Info

ID:	89167
PubChem CID:	49959734
Reduced:	ClN2O2H9C13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	384.01095
ΔH_f, kcal/mol:	11.97
Dipole, Da:	4.48
IP(EA), eV:	-9.21(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C2=NN=C(O2)C3=CC=CC=C3Cl

DOS

IR

Vibrations