Geometry & MOs

Info

ID:	126576
PubChem CID:	50968495
Reduced:	O3N4H18C21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-26.31
Dipole, Da:	1.4
IP(EA), eV:	-8.67(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]but-3-en-1-one

Drug info:

PubChemData

Smile

CN1C(=O)COC2=C1C=C3C(=C2)C(CC(=O)N3)C4=CC=NN4C5=CC=CC=C5

DOS

IR

Vibrations