Geometry & MOs

Info

ID:	140553
PubChem CID:	52717940
Reduced:	N2O2F3C19H25 (1)
Stoich.:	A2B2C3D19E25 (1)
Weight, g/mol:	416.178573
ΔH_f, kcal/mol:	-257.37
Dipole, Da:	3.04
IP(EA), eV:	-9.57(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)C(=O)N1CCC(CC1)NC(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations