Geometry & MOs

Info

ID:	216784
PubChem CID:	85086767
Reduced:	SN5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	301.149806
ΔH_f, kcal/mol:	76.63
Dipole, Da:	4.56
IP(EA), eV:	-8.49(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[tert-butyl(dimethyl)silyl]oxy-phenylmethylidene]-3-oxobutanenitrile

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=C(C#N)C(=S)NC2=CC=CC=C2)N

DOS

IR

Vibrations