Geometry & MOs

Info

ID:	54872
PubChem CID:	17389456
Reduced:	IN2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	526.078705
ΔH_f, kcal/mol:	32.73
Dipole, Da:	12.33
IP(EA), eV:	-7.02(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-benzylpiperazin-1-yl)-1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidine;dihydrochloride

Drug info:

PubChemData

Smile

C[N+]1(CCCCC1)CC2=CNC3=CC=CC=C32.[I-]

DOS

IR

Vibrations