Geometry & MOs

Info

ID:	240926
PubChem CID:	93618231
Reduced:	O2N6C17H26 (1)
Stoich.:	A2B6C17D26 (1)
Weight, g/mol:	346.211724
ΔH_f, kcal/mol:	-44.04
Dipole, Da:	2.24
IP(EA), eV:	-8.66(-0.84)
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-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)CCCNC(=O)CN2C=NC3=C(C2=O)C=NN3C

DOS

IR

Vibrations