Geometry & MOs

Info

ID:	332843
PubChem CID:	127251267
Reduced:	O3N6C22H22 (1)
Stoich.:	A3B6C22D22 (1)
Weight, g/mol:	436.148159
ΔH_f, kcal/mol:	41.68
Dipole, Da:	6.49
IP(EA), eV:	-8.48(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC2=NNC3=C2C=CC(=N3)C4CCN(C4)C(=O)C5=CC=NO5

DOS

IR

Vibrations