Geometry & MOs

Info

ID:	89053
PubChem CID:	49959005
Reduced:	NOH9C11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	428.069448
ΔH_f, kcal/mol:	49.56
Dipole, Da:	5.09
IP(EA), eV:	-8.72(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,4-dichlorophenoxy)propyl]-5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C2=NN=C(O2)COC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations