Geometry & MOs

Info

ID:	39289
PubChem CID:	8140064
Reduced:	NOC7H10 (3)
Stoich.:	ABC7D10 (3)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-109.95
Dipole, Da:	4.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.988772
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O

DOS

IR

Vibrations