Geometry & MOs

Info

ID:	133045
PubChem CID:	51467996
Reduced:	Cl2F3N3O3H13C16 (1)
Stoich.:	A2B3C3D3E13F16 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-175.78
Dipole, Da:	5.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.168369
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-hydroxy-N-(3-methylphenyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)NCC[NH+]=CC2=C(C(=CC(=C2)Cl)Cl)O

DOS

IR

Vibrations