Geometry & MOs

Info

ID:	332813
PubChem CID:	127251237
Reduced:	ON5C24H29 (1)
Stoich.:	AB5C24D29 (1)
Weight, g/mol:	418.24811
ΔH_f, kcal/mol:	27.89
Dipole, Da:	6.15
IP(EA), eV:	-8.62(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-[3-[3-(pyridin-2-ylmethylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCC5=CC=CC=C5

DOS

IR

Vibrations