Geometry & MOs

Info

ID:	407041
PubChem CID:	135079205
Reduced:	IO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	418.250795
ΔH_f, kcal/mol:	-75.04
Dipole, Da:	4.08
IP(EA), eV:	-9.09(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-tert-butyl-2-[(E)-3-phenylprop-2-enoxy]phenyl]but-3-yn-2-yl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC=C1CC1)(CC#CC2=CC=CC=C2I)C(=O)OCC

DOS

IR

Vibrations