Geometry & MOs

Info

ID:	191951
PubChem CID:	78207760
Reduced:	OS2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	331.116821
ΔH_f, kcal/mol:	8.9
Dipole, Da:	3.84
IP(EA), eV:	-9.05(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2C3=C(CN(CC3)C)SC2=NC1=S

DOS

IR

Vibrations