Geometry & MOs

Info

ID:	129458
PubChem CID:	51072655
Reduced:	OSN2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	1.27
Dipole, Da:	3.68
IP(EA), eV:	-8.85(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxy-N-methylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCCC(=O)NCCC2=CC=CC=N2

DOS

IR

Vibrations