Geometry & MOs

Info

ID:	227738
PubChem CID:	87562363
Reduced:	SSiO3C10H22 (1)
Stoich.:	ABC3D10E22 (1)
Weight, g/mol:	349.061804
ΔH_f, kcal/mol:	-244.02
Dipole, Da:	4.07
IP(EA), eV:	-8.13(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CCO[Si](C1(CCCCC1)S)(OC)OC

DOS

IR

Vibrations