Geometry & MOs

Info

ID:	31354
PubChem CID:	855613
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	280.143645
ΔH_f, kcal/mol:	-58.95
Dipole, Da:	4.56
IP(EA), eV:	-8.38(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-4-piperazin-1-ylpyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CCC1=C(N=C2C=CC(=CC2=C1)OC)SCC(=O)N3CCCCC3

DOS

IR

Vibrations