Geometry & MOs

Info

ID:	305583
PubChem CID:	124960938
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	439.207133
ΔH_f, kcal/mol:	-58.45
Dipole, Da:	6.51
IP(EA), eV:	-9.26(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-fluorophenyl)methyl-methylamino]-1-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCN([C@@H](C1)C2=CC=CC=C2OC)C(=O)C3=CN=CC=C3

DOS

IR

Vibrations