Geometry & MOs

Info

ID:	332819
PubChem CID:	127251243
Reduced:	ON6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	416.176087
ΔH_f, kcal/mol:	45.29
Dipole, Da:	3.75
IP(EA), eV:	-8.65(-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]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)C2=NC3=C(C=C2)C(=NN3)NCC4=CC=CC=N4

DOS

IR

Vibrations