Geometry & MOs

Info

ID:	254138
PubChem CID:	103123002
Reduced:	BrON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	294.088353
ΔH_f, kcal/mol:	22.87
Dipole, Da:	3.9
IP(EA), eV:	-9.05(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(chloromethyl)-6-methylmorpholin-4-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone

Drug info:

PubChemData

Smile

C1CC(C1)N(CCBr)C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations