Geometry & MOs

Info

ID:	402186
PubChem CID:	135054795
Reduced:	SiO3C23H30 (1)
Stoich.:	AB3C23D30 (1)
Weight, g/mol:	320.131349
ΔH_f, kcal/mol:	-102.1
Dipole, Da:	4.41
IP(EA), eV:	-9.4(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(3-phenylprop-2-ynyl)phenyl]iminomethyl]benzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CCC(C1C#C[Si](CC)(CC)CC)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations