Geometry & MOs

Info

ID:	321473
PubChem CID:	126666111
Reduced:	ClO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-62.63
Dipole, Da:	3.9
IP(EA), eV:	-9.71(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,4R)-2-amino-4-phenylmethoxycyclopentyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C2=NC=CO2)NC(=O)N.Cl

DOS

IR

Vibrations