Geometry & MOs

Info

ID:	218310
PubChem CID:	85089156
Reduced:	OSiC13H23 (2)
Stoich.:	ABC13D23 (2)
Weight, g/mol:	447.133139
ΔH_f, kcal/mol:	-196.98
Dipole, Da:	2.31
IP(EA), eV:	-8.7(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[[7-methyl-3-oxo-2-(pyridin-2-ylmethylidene)-1-benzofuran-6-yl]oxy]pyrimidin-2-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC1(CCC1(C)C2=C(C=C(C=C2)C)O[Si](C)(C)C(C)(C)C)C=C

DOS

IR

Vibrations