Geometry & MOs

Info

ID:	271123
PubChem CID:	103644046
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	349.155909
ΔH_f, kcal/mol:	-112.12
Dipole, Da:	4.2
IP(EA), eV:	-8.79(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-methylsulfonylpropyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1CCCN(C1)CC(COCC2=CC=CC=C2)O

DOS

IR

Vibrations