Geometry & MOs

Info

ID:	180584
PubChem CID:	76657543
Reduced:	O2F3N4C22H25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	452.228677
ΔH_f, kcal/mol:	-90.66
Dipole, Da:	5.96
IP(EA), eV:	-9.22(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[1-amino-2-(2,4,5-trifluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(oxan-4-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)CCC(=O)C3=CN=CN3)C(CC4=CC(=C(C=C4F)F)F)N

DOS

IR

Vibrations