Geometry & MOs

Info

ID:	29345
PubChem CID:	833192
Reduced:	N2O5H12C16 (1)
Stoich.:	A2B5C12D16 (1)
Weight, g/mol:	284.104859
ΔH_f, kcal/mol:	-25.15
Dipole, Da:	4.95
IP(EA), eV:	-9.49(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-3-oxo-2-[(5-phenylfuran-2-yl)methylidene]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(O1)C2=CC=CC=C2[N+](=O)[O-])/C#N

DOS

IR

Vibrations