Geometry & MOs

Info

ID:	365160
PubChem CID:	127316964
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	334.190595
ΔH_f, kcal/mol:	-15.61
Dipole, Da:	2.81
IP(EA), eV:	-8.45(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyclobutylpiperazin-1-yl)-1-phenylpyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C3=CC(=NC=N3)N4CCCC(C4)CO

DOS

IR

Vibrations