Geometry & MOs

Info

ID:	353292
PubChem CID:	127284621
Reduced:	SO2N6C13H18 (1)
Stoich.:	AB2C6D13E18 (1)
Weight, g/mol:	258.157957
ΔH_f, kcal/mol:	24.68
Dipole, Da:	8.27
IP(EA), eV:	-9.19(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methylmorpholin-4-yl)ethyl]-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

CC1COCCN1CCNC(=O)C2=C(C=CS2)N3C=NN=N3

DOS

IR

Vibrations