Geometry & MOs

Info

ID:	122160
PubChem CID:	50796524
Reduced:	ClFON5H23C25 (1)
Stoich.:	ABCD5E23F25 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	18.26
Dipole, Da:	2.7
IP(EA), eV:	-8.66(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=CN3C2=CC(=N3)C4=CC(=CC=C4)Cl)C(=O)NCC5=CC=CC=C5F

DOS

IR

Vibrations