Geometry & MOs

Info

ID:	407247
PubChem CID:	135079640
Reduced:	SiO2C19H36 (1)
Stoich.:	AB2C19D36 (1)
Weight, g/mol:	332.17763
ΔH_f, kcal/mol:	-169.49
Dipole, Da:	3.03
IP(EA), eV:	-8.43(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-but-3-enylphenyl)-5-phenylpent-1-yn-3-yl] acetate

Drug info:

PubChemData

Smile

CCCC(O[Si](OC(/C=C/C)/C=C/C)(C(C)C)C(C)C)C=C

DOS

IR

Vibrations