Geometry & MOs

Info

ID:	200047
PubChem CID:	79338338
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	228.147393
ΔH_f, kcal/mol:	-39.06
Dipole, Da:	4.96
IP(EA), eV:	-9.5(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(aminomethyl)cyclopentyl] morpholine-4-carboxylate

Drug info:

PubChemData

Smile

CCCNCCOC(=O)NC1=CC=C(C=C1)C#N

DOS

IR

Vibrations