Geometry & MOs

Info

ID:	253867
PubChem CID:	103121208
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	299.047696
ΔH_f, kcal/mol:	-54.39
Dipole, Da:	5.01
IP(EA), eV:	-9.52(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CCCCN1C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations