Geometry & MOs

Info

ID:	172925
PubChem CID:	75573515
Reduced:	N2O5H20C23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	271.084458
ΔH_f, kcal/mol:	-15.97
Dipole, Da:	5.96
IP(EA), eV:	-8.58(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-methyl-2-nitrophenyl)furan-2-yl]but-3-en-2-one

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)C3=CC=C(O3)C=CC(=O)C4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations