Geometry & MOs

Info

ID:	39261
PubChem CID:	8140009
Reduced:	NOC12H13 (2)
Stoich.:	ABC12D13 (2)
Weight, g/mol:	397.127385
ΔH_f, kcal/mol:	-12.46
Dipole, Da:	4.18
IP(EA), eV:	-8.79(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(3,5-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations