Geometry & MOs

Info

ID:	148764
PubChem CID:	53788433
Reduced:	NO2C6H12 (2)
Stoich.:	AB2C6D12 (2)
Weight, g/mol:	279.114044
ΔH_f, kcal/mol:	-193.63
Dipole, Da:	1.51
IP(EA), eV:	-9.72(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-methoxy-1-methylsulfonylpiperidin-4-yl)acetate

Drug info:

PubChemData

Smile

CC1(CC(C(N1O)(C)C)C(=O)NC(CO)CO)C

DOS

IR

Vibrations