Geometry & MOs

Info

ID:	166291
PubChem CID:	74664619
Reduced:	SN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-93.14
Dipole, Da:	4.24
IP(EA), eV:	-9.08(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)CNC(C(C)O)C(=O)N

DOS

IR

Vibrations