Geometry & MOs

Info

ID:	374980
PubChem CID:	131408402
Reduced:	ON2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	215.109233
ΔH_f, kcal/mol:	-1.78
Dipole, Da:	2.36
IP(EA), eV:	-9.59(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-thiomorpholin-3-yl-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CC1=C(NC(=C1)C#N)C(=O)C(C)C

DOS

IR

Vibrations