Geometry & MOs

Info

ID:	218319
PubChem CID:	85089167
Reduced:	NSSiO4C23H33 (1)
Stoich.:	ABCD4E23F33 (1)
Weight, g/mol:	449.199381
ΔH_f, kcal/mol:	-161.75
Dipole, Da:	5.06
IP(EA), eV:	-8.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-8-piperidin-1-yl-3-propyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(C2OCC3=CC=CC=C3)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations