Geometry & MOs

Info

ID:	253735
PubChem CID:	103120279
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	-70.87
Dipole, Da:	4.68
IP(EA), eV:	-8.92(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)N3C[C@H]([C@H](C3)O)O

DOS

IR

Vibrations