Geometry & MOs

Info

ID:	361137
PubChem CID:	127302081
Reduced:	ClN2O4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	388.222289
ΔH_f, kcal/mol:	-147.67
Dipole, Da:	1.91
IP(EA), eV:	-8.85(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2(CCOCC2)CNC(=O)C3=CC4=C(C(=C3)Cl)OCO4

DOS

IR

Vibrations