Geometry & MOs

Info

ID:	65204
PubChem CID:	29204607
Reduced:	ClN4O4H19C21 (1)
Stoich.:	AB4C4D19E21 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-54.6
Dipole, Da:	4.07
IP(EA), eV:	-8.57(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NNC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations