Geometry & MOs

Info

ID:	332833
PubChem CID:	127251257
Reduced:	ON5C24H29 (1)
Stoich.:	AB5C24D29 (1)
Weight, g/mol:	419.232125
ΔH_f, kcal/mol:	29.05
Dipole, Da:	6.18
IP(EA), eV:	-8.64(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCCC5=CC=CC=C5

DOS

IR

Vibrations