Geometry & MOs

Info

ID:	323934
PubChem CID:	126676638
Reduced:	ON10C21H26 (1)
Stoich.:	AB10C21D26 (1)
Weight, g/mol:	424.204531
ΔH_f, kcal/mol:	98.23
Dipole, Da:	3.79
IP(EA), eV:	-8.29(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-butan-2-ylphenyl)-1-(1-ethenylsulfinylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN=C/C(=C\N)/CC2=CC(=NC(=C2N)NN)N)C(=O)NCC3=CNN=C3

DOS

IR

Vibrations