Geometry & MOs

Info

ID:	140555
PubChem CID:	52718005
Reduced:	F2N3O3C22H23 (1)
Stoich.:	A2B3C3D22E23 (1)
Weight, g/mol:	416.178573
ΔH_f, kcal/mol:	-170.55
Dipole, Da:	3.92
IP(EA), eV:	-9.27(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-N-[1-[(3,4-difluorophenyl)methyl]piperidin-1-ium-4-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCN(CC1)CC2=CC(=C(C=C2)F)F)N3C4=CC=CC=C4OC3=O

DOS

IR

Vibrations