Geometry & MOs

Info

ID:	357656
PubChem CID:	127294330
Reduced:	F3N7C17H24 (1)
Stoich.:	A3B7C17D24 (1)
Weight, g/mol:	391.248444
ΔH_f, kcal/mol:	-66.39
Dipole, Da:	10.64
IP(EA), eV:	-8.96(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)C=C3

DOS

IR

Vibrations