Geometry & MOs

Info

ID:	21199
PubChem CID:	587615
Reduced:	ClNO4H12C19 (1)
Stoich.:	ABC4D12E19 (1)
Weight, g/mol:	353.045486
ΔH_f, kcal/mol:	8.79
Dipole, Da:	5.9
IP(EA), eV:	-9.34(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C=CC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations