Geometry & MOs

Info

ID:	28521
PubChem CID:	828087
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	345.136493
ΔH_f, kcal/mol:	32.71
Dipole, Da:	4.44
IP(EA), eV:	-8.9(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]chromene-2,4-dione

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1)CC)[C@H]2C(=C(OC3=NNC(=C23)C)N)C#N)CC

DOS

IR

Vibrations