Geometry & MOs

Info

ID:	332821
PubChem CID:	127251245
Reduced:	ON3C12H12 (2)
Stoich.:	AB3C12D12 (2)
Weight, g/mol:	383.175753
ΔH_f, kcal/mol:	51.1
Dipole, Da:	4.95
IP(EA), eV:	-8.12(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-[(4-fluorophenyl)methylamino]-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-methoxyethanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC2=NNC3=C2C=CC(=N3)C4CCN(C4)C(=O)C5=CC=CC=N5

DOS

IR

Vibrations