Geometry & MOs

Info

ID:	253744
PubChem CID:	103120358
Reduced:	FO2N5C12H16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-51.37
Dipole, Da:	5.53
IP(EA), eV:	-9.63(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2=C(N=NN2CCF)C(=O)OC

DOS

IR

Vibrations