Geometry & MOs

Info

ID:	289435
PubChem CID:	104353723
Reduced:	BrON5C12H18 (1)
Stoich.:	ABC5D12E18 (1)
Weight, g/mol:	289.165108
ΔH_f, kcal/mol:	-19.98
Dipole, Da:	3.04
IP(EA), eV:	-8.93(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[6-(methylamino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(CC1)C2=NC(=NC=C2Br)NC

DOS

IR

Vibrations