Geometry & MOs

Info

ID:	332839
PubChem CID:	127251263
Reduced:	FON6C23H27 (1)
Stoich.:	ABC6D23E27 (1)
Weight, g/mol:	446.188881
ΔH_f, kcal/mol:	-0.91
Dipole, Da:	3.46
IP(EA), eV:	-8.58(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[3-(2-phenylethylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations