Geometry & MOs

Info

ID:	52587
PubChem CID:	12015516
Reduced:	NOC27H35 (1)
Stoich.:	ABC27D35 (1)
Weight, g/mol:	352.065513
ΔH_f, kcal/mol:	-30.32
Dipole, Da:	2.14
IP(EA), eV:	-8.68(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dinitroacetate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]3C4=CC=CC=C4[C@@](CN3C2(C)C)(C)CC5=CC=CC=C5

DOS

IR

Vibrations