Geometry & MOs

Info

ID:	30738
PubChem CID:	841784
Reduced:	ClN2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	221.116427
ΔH_f, kcal/mol:	-36.87
Dipole, Da:	3.9
IP(EA), eV:	-9.44(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-pyrazin-2-ylmethanone

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/NC1=CC(=CC=C1)Cl)/C#N

DOS

IR

Vibrations