Geometry & MOs

Info

ID:	236433
PubChem CID:	92712924
Reduced:	ClN2O4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	391.116821
ΔH_f, kcal/mol:	-94.8
Dipole, Da:	3.54
IP(EA), eV:	-8.75(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-5-(4-methoxynaphthalen-1-yl)-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NN([C@@H](O2)COC3=CC=CC=C3Cl)C(=O)C

DOS

IR

Vibrations