Geometry & MOs

Info

ID:	218087
PubChem CID:	85088844
Reduced:	SiO3C25H50 (1)
Stoich.:	AB3C25D50 (1)
Weight, g/mol:	427.154349
ΔH_f, kcal/mol:	-265.65
Dipole, Da:	4.57
IP(EA), eV:	-8.64(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[(4-fluorophenyl)-hydroxymethyl]-2-oxopiperidin-1-yl]ethyl]-6-hydroxy-4aH-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CCCCCCC1CCCC(=O)C(O1)CCCCCO[Si](C)(C)C(C)(C)C(C)C

DOS

IR

Vibrations