Geometry & MOs

Info

ID:	180535
PubChem CID:	76649635
Reduced:	FN4O4C23H33 (1)
Stoich.:	AB4C4D23E33 (1)
Weight, g/mol:	436.228597
ΔH_f, kcal/mol:	-204.02
Dipole, Da:	5.37
IP(EA), eV:	-8.61(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-fluoro-3-[3-[(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1,6-dimethyl-1,3,5-triazinane-2,4-dione

Drug info:

PubChemData

Smile

CN1C(NC(=O)N(C1=O)CCCN2C3CCC2CC(C3)OCC4=CC=CC=C4F)COC

DOS

IR

Vibrations