Geometry & MOs

Info

ID:	65200
PubChem CID:	29204601
Reduced:	ClN2O5H15C17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-128.01
Dipole, Da:	4.84
IP(EA), eV:	-8.99(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3,4-dimethylphenoxy)-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCCO2)C(=O)NNC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations