Geometry & MOs

Info

ID:	332799
PubChem CID:	127251223
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	398.185509
ΔH_f, kcal/mol:	49.59
Dipole, Da:	4.67
IP(EA), eV:	-8.73(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(C=C2)C(=NN3)NCC4=CC=CC=N4

DOS

IR

Vibrations