Geometry & MOs

Info

ID:	89225
PubChem CID:	49960057
Reduced:	N2O3H16C17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	427.99272
ΔH_f, kcal/mol:	-4.85
Dipole, Da:	3.19
IP(EA), eV:	-8.84(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-chlorophenoxy)methyl]-5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC2=NN=C(O2)/C=C/C3=CC=CO3

DOS

IR

Vibrations