Geometry & MOs

Info

ID:	244865
PubChem CID:	99431518
Reduced:	N2F3O3C18H23 (1)
Stoich.:	A2B3C3D18E23 (1)
Weight, g/mol:	372.166077
ΔH_f, kcal/mol:	-295.02
Dipole, Da:	4.27
IP(EA), eV:	-9.43(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C(=O)NCC[C@@](C2=CC=CC=C2)(C(F)(F)F)O

DOS

IR

Vibrations