Geometry & MOs

Info

ID:	143347
PubChem CID:	53196434
Reduced:	ON7C19H23 (1)
Stoich.:	AB7C19D23 (1)
Weight, g/mol:	331.212058
ΔH_f, kcal/mol:	63.17
Dipole, Da:	6.1
IP(EA), eV:	-8.77(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=NC3=C2C=NN3CC(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations