Geometry & MOs

Info

ID:	382412
PubChem CID:	134973550
Reduced:	ClO3H11C18 (1)
Stoich.:	AB3C11D18 (1)
Weight, g/mol:	289.073893
ΔH_f, kcal/mol:	-26.23
Dipole, Da:	3.67
IP(EA), eV:	-9.51(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-2-phenylacetonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=C(C(=O)C2=O)C3=CC=CC=C3)Cl)O

DOS

IR

Vibrations