Geometry & MOs

Info

ID:	319915
PubChem CID:	126657566
Reduced:	ON9H23C26 (1)
Stoich.:	AB9C23D26 (1)
Weight, g/mol:	299.119129
ΔH_f, kcal/mol:	168.78
Dipole, Da:	4.3
IP(EA), eV:	-8.84(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxypiperidin-4-yl)ethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCC(NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C/4\N=C5C=NC=C(C5=N4)C6=CC=CC=N6)N=C2)O

DOS

IR

Vibrations