Geometry & MOs

Info

ID:	130574
PubChem CID:	51091323
Reduced:	NO3C8H8 (2)
Stoich.:	AB3C8D8 (2)
Weight, g/mol:	340.105922
ΔH_f, kcal/mol:	-113.64
Dipole, Da:	6.75
IP(EA), eV:	-9.21(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan-3-ylmethyl 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=COC=C3

DOS

IR

Vibrations