Geometry & MOs

Info

ID:	89183
PubChem CID:	49959787
Reduced:	NOC12H12 (2)
Stoich.:	ABC12D12 (2)
Weight, g/mol:	394.10842
ΔH_f, kcal/mol:	12.99
Dipole, Da:	3.57
IP(EA), eV:	-8.82(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-3,5-dimethylphenoxy)methyl]-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(O2)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations