Geometry & MOs

Info

ID:	396277
PubChem CID:	135027905
Reduced:	IO2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	414.25588
ΔH_f, kcal/mol:	-81.77
Dipole, Da:	3.9
IP(EA), eV:	-10.14(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-[(Z)-2-(4-tert-butylphenoxy)-3-phenylprop-2-enoxy]benzene

Drug info:

PubChemData

Smile

C[C@]12CCC[C@H]([C@@H]1I)OC2=O

DOS

IR

Vibrations