Geometry & MOs

Info

ID:	234522
PubChem CID:	92298605
Reduced:	ON2H10C16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	414.16198
ΔH_f, kcal/mol:	90.57
Dipole, Da:	4.91
IP(EA), eV:	-9.66(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5Z)-5-benzylidene-4-hydroxy-2,3,4-triphenylcyclopent-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C(/C#N)\C2=NC3=CC=CC=C3O2

DOS

IR

Vibrations