Geometry & MOs

Info

ID:	332849
PubChem CID:	127251273
Reduced:	ON6C26H34 (1)
Stoich.:	AB6C26D34 (1)
Weight, g/mol:	392.196074
ΔH_f, kcal/mol:	24.93
Dipole, Da:	3.01
IP(EA), eV:	-8.52(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-[3-(benzylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCC(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCC5=CC=CC=C5

DOS

IR

Vibrations