Geometry & MOs

Info

ID:	409368
PubChem CID:	135082148
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	860.611156
ΔH_f, kcal/mol:	-56.77
Dipole, Da:	5.87
IP(EA), eV:	-8.56(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-8-(3,5-ditert-butylphenyl)-3-[4-(3,5-ditert-butylphenyl)buta-1,3-diynyl]-4-[2-tri(propan-2-yl)silylethynyl]oct-3-en-1,5,7-triynyl]-tri(propan-2-yl)silane

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC2=C(O1)N(C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations