Geometry & MOs

Info

ID:	234406
PubChem CID:	92298356
Reduced:	N3O4H15C16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-4.82
Dipole, Da:	6.22
IP(EA), eV:	-9.26(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-phenoxy-1-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N/N=C/C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations