Geometry & MOs

Info

ID:	172926
PubChem CID:	75573841
Reduced:	NO4H13C15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	280.005785
ΔH_f, kcal/mol:	-24.86
Dipole, Da:	6.88
IP(EA), eV:	-9.19(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC=C(O2)C=CC(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations