Geometry & MOs

Info

ID:	332797
PubChem CID:	127251221
Reduced:	N6C23H24 (1)
Stoich.:	A6B23C24 (1)
Weight, g/mol:	416.212473
ΔH_f, kcal/mol:	124.97
Dipole, Da:	3.24
IP(EA), eV:	-8.59(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-N-[(6-methylpyridin-2-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-amine

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC3=C(C=C2)C(=NN3)NCC4=CC=CC=N4)CC5=CC=CC=C5

DOS

IR

Vibrations