Geometry & MOs

Info

ID:	143346
PubChem CID:	53195903
Reduced:	ON5H17C21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	365.196408
ΔH_f, kcal/mol:	95.32
Dipole, Da:	4.25
IP(EA), eV:	-8.55(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[4-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C=C1C3=CC(=NN3)NC(=O)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations