Geometry & MOs

Info

ID:	361057
PubChem CID:	127301947
Reduced:	SO2N3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	332.196074
ΔH_f, kcal/mol:	-82.17
Dipole, Da:	2.37
IP(EA), eV:	-8.7(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpiperidin-2-yl)methyl]-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC(=O)C(C)NC(=O)C2=CC=CS2

DOS

IR

Vibrations