Geometry & MOs

Info

ID:	67837
PubChem CID:	46507275
Reduced:	SN3O3C26H35 (1)
Stoich.:	AB3C3D26E35 (1)
Weight, g/mol:	431.175753
ΔH_f, kcal/mol:	-155.48
Dipole, Da:	6.33
IP(EA), eV:	-8.69(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine-3-carbaldehyde

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCC(=O)NCCCOC45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations