Geometry & MOs

Info

ID:	438812
PubChem CID:	135228569
Reduced:	NOC20H23 (1)
Stoich.:	ABC20D23 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	4.09
Dipole, Da:	3.28
IP(EA), eV:	-8.37(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(1,3-benzodioxol-5-ylmethyl)-5-methylthiomorpholine-3-carboxamide

Drug info:

PubChemData

Smile

C=C1CCC(CC1)C(CC2C3=CC=CC=C3C4=CC=CN24)O

DOS

IR

Vibrations