Geometry & MOs

Info

ID:	151628
PubChem CID:	55161762
Reduced:	S2N7C9H9 (1)
Stoich.:	A2B7C9D9 (1)
Weight, g/mol:	281.104338
ΔH_f, kcal/mol:	137.24
Dipole, Da:	3.78
IP(EA), eV:	-9.0(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chloro-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-3-ol

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=C2C=N1)N)CSC3=NN=CS3

DOS

IR

Vibrations