Geometry & MOs

Info

ID:	34353
PubChem CID:	7890895
Reduced:	N3O5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	346.095357
ΔH_f, kcal/mol:	-119.74
Dipole, Da:	4.73
IP(EA), eV:	-8.66(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)N(CCC#N)C(=O)COC(=O)C3=CC=C(C=C3)N

DOS

IR

Vibrations