Geometry & MOs

Info

ID:	234450
PubChem CID:	92298459
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	263.134385
ΔH_f, kcal/mol:	-78.38
Dipole, Da:	6.47
IP(EA), eV:	-9.71(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations