Geometry & MOs

Info

ID:	48643
PubChem CID:	11110225
Reduced:	NO7C15H21 (1)
Stoich.:	AB7C15D21 (1)
Weight, g/mol:	327.183444
ΔH_f, kcal/mol:	-291.93
Dipole, Da:	1.65
IP(EA), eV:	-9.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[[(1S)-1-phenylethyl]amino]-3-phenylmethoxypropyl] acetate

Drug info:

PubChemData

Smile

COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations