Geometry & MOs

Info

ID:	293165
PubChem CID:	117375292
Reduced:	N3O4C11H11 (1)
Stoich.:	A3B4C11D11 (1)
Weight, g/mol:	249.074956
ΔH_f, kcal/mol:	-83.1
Dipole, Da:	16.09
IP(EA), eV:	-8.35(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7Z)-7-[5-(aminomethyl)-1,2,4-oxadiazol-3-ylidene]-2,3-dihydro-1,4-benzodioxin-6-one

Drug info:

PubChemData

Smile

COC1=C/C(=C/2\C=C(NN2)N)/C=C(C1=O)C(=O)O

DOS

IR

Vibrations