Geometry & MOs

Info

ID:	36745
PubChem CID:	8012060
Reduced:	NF3O3H16C17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	270.089209
ΔH_f, kcal/mol:	-251.4
Dipole, Da:	6.53
IP(EA), eV:	-9.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-phenylethyl] 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)O[C@@H](C)C(=O)NC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations