Geometry & MOs

Info

ID:	186671
PubChem CID:	77464803
Reduced:	F2S2O4N7C19H27 (1)
Stoich.:	A2B2C4D7E19F27 (1)
Weight, g/mol:	227.188529
ΔH_f, kcal/mol:	-183.14
Dipole, Da:	6.14
IP(EA), eV:	-8.85(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylpiperidin-1-yl)ethyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1(CC(CN1)(F)F)CCNS(=O)(=O)N2CCN(CC23CC3)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations