Geometry & MOs

Info

ID:	319900
PubChem CID:	126657526
Reduced:	ON9H25C27 (1)
Stoich.:	AB9C25D27 (1)
Weight, g/mol:	187.120843
ΔH_f, kcal/mol:	159.83
Dipole, Da:	4.29
IP(EA), eV:	-8.81(-2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations