Geometry & MOs

Info

ID:	292263
PubChem CID:	114781097
Reduced:	BrON2F3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	341.07389
ΔH_f, kcal/mol:	-190.2
Dipole, Da:	3.91
IP(EA), eV:	-9.06(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-1-cyclopropylpyrazin-2-one

Drug info:

PubChemData

Smile

CC1(CN(CC(O1)CBr)C2=NC=C(C=C2)C(F)(F)F)C

DOS

IR

Vibrations