Geometry & MOs

Info

ID:	402425
PubChem CID:	135055916
Reduced:	NO3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	342.088557
ΔH_f, kcal/mol:	-123.26
Dipole, Da:	0.97
IP(EA), eV:	-7.92(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-1-(4-nitrophenyl)sulfonylpiperidin-2-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C[C@@H](C1CCCCC1)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations