Geometry & MOs

Info

ID:	240925
PubChem CID:	93618229
Reduced:	OSN4C14H24 (1)
Stoich.:	ABC4D14E24 (1)
Weight, g/mol:	346.211724
ΔH_f, kcal/mol:	-19.96
Dipole, Da:	4.93
IP(EA), eV:	-8.86(-1.32)
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-[3-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)NCCCN2CCC[C@@H](C2)C

DOS

IR

Vibrations