Geometry & MOs

Info

ID:	134578
PubChem CID:	51715760
Reduced:	ClO3N7H12C16 (1)
Stoich.:	AB3C7D12E16 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	114.15
Dipole, Da:	6.02
IP(EA), eV:	-9.94(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-hydroxy-3-phenoxypropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C/C(=N/NC(=O)C1=CC=C(C=C1)N2C=NN=N2)/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations