Geometry & MOs

Info

ID:	332832
PubChem CID:	127251256
Reduced:	FON5C26H26 (1)
Stoich.:	ABC5D26E26 (1)
Weight, g/mol:	403.237211
ΔH_f, kcal/mol:	15.15
Dipole, Da:	5.51
IP(EA), eV:	-8.51(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC3=C(C=C2)C(=NN3)NCCC4=CC=CC=C4)C(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations