Geometry & MOs

Info

ID:	396807
PubChem CID:	135029255
Reduced:	NO3C7H14 (1)
Stoich.:	AB3C7D14 (1)
Weight, g/mol:	296.068473
ΔH_f, kcal/mol:	-116.02
Dipole, Da:	3.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755146
Charge, e:	0

Chem-info

IUPAC name:

(5,6-dioxo-6-phenylhex-3-ynyl) furan-2-carboxylate

Drug info:

PubChemData

Smile

C1C[NH+]2C1C(C(C(C2)O)O)O

DOS

IR

Vibrations