Geometry & MOs

Info

ID:	169379
PubChem CID:	75096958
Reduced:	NOC15H18 (2)
Stoich.:	ABC15D18 (2)
Weight, g/mol:	536.29266
ΔH_f, kcal/mol:	8.27
Dipole, Da:	18.7
IP(EA), eV:	-8.21(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-tert-butyl-6-[5-(2,6-ditert-butylpyran-4-ylidene)penta-1,3-dienyl]pyran-4-ylidene]indene-1,3-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC=CC=CC2=CC(=C(C#N)C#N)C=C(O2)C(C)(C)C)C=C(O1)C(C)(C)C

DOS

IR

Vibrations