Geometry & MOs

Info

ID:	29408
PubChem CID:	833602
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	-132.48
Dipole, Da:	4.99
IP(EA), eV:	-8.78(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C(=O)OCCN2CCOCC2

DOS

IR

Vibrations