Geometry & MOs

Info

ID:	407105
PubChem CID:	135079342
Reduced:	SiO3C33H42 (1)
Stoich.:	AB3C33D42 (1)
Weight, g/mol:	283.1361
ΔH_f, kcal/mol:	-96.54
Dipole, Da:	3.71
IP(EA), eV:	-8.75(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-2-(3-phenylprop-2-ynyl)aniline

Drug info:

PubChemData

Smile

CC#C[C@@H](C)[C@@H]([C@@H](C)CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)OCC3=CC=C(C=C3)OC

DOS

IR

Vibrations