Geometry & MOs

Info

ID:	332805
PubChem CID:	127251229
Reduced:	ON3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	396.207388
ΔH_f, kcal/mol:	-5.69
Dipole, Da:	4.74
IP(EA), eV:	-8.29(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[3-[3-(propan-2-ylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)NC1=NNC2=C1C=CC(=N2)C3CCN(C3)CC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations