Geometry & MOs

Info

ID:	234449
PubChem CID:	92298458
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-109.92
Dipole, Da:	3.82
IP(EA), eV:	-8.48(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-methylpiperidin-1-yl]-2-(4-nitrophenoxy)ethanone

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C(=O)COC2=CC=C(C=C2)OC

DOS

IR

Vibrations