Geometry & MOs

Info

ID:	401193
PubChem CID:	135050539
Reduced:	ClCo2O7C18H19 (1)
Stoich.:	AB2C7D18E19 (1)
Weight, g/mol:	490.28718
ΔH_f, kcal/mol:	-300.16
Dipole, Da:	19.32
IP(EA), eV:	-10.13(-6.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienoxy]naphthalen-1-yl]naphthalen-2-ol

Drug info:

PubChemData

Smile

CCCCC#C[C@]1(CCCC[C@@H]1Cl)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]

DOS

IR

Vibrations