Geometry & MOs

Info

ID:	388253
PubChem CID:	134988654
Reduced:	NF3O3C12H18 (1)
Stoich.:	AB3C3D12E18 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	-293.31
Dipole, Da:	5.5
IP(EA), eV:	-10.44(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-amino-1-(4-methoxyphenyl)-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC(C)[C@@H]([C@H](CC=C)C(=O)OC)NC(=O)C(F)(F)F

DOS

IR

Vibrations