Geometry & MOs

Info

ID:	169378
PubChem CID:	75096879
Reduced:	O3C11H16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	456.277678
ΔH_f, kcal/mol:	-114.83
Dipole, Da:	2.02
IP(EA), eV:	-10.03(-0.78)
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]propanedinitrile

Drug info:

PubChemData

Smile

CC1(C=CC(=O)C(O1)C(C)(C)C=C)O

DOS

IR

Vibrations