Geometry & MOs

Info

ID:	332857
PubChem CID:	127251281
Reduced:	O3N5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	428.196074
ΔH_f, kcal/mol:	-60.32
Dipole, Da:	4.56
IP(EA), eV:	-8.64(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[3-(benzylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)CCCC2)C(=O)N3CCC(C3)C4=NC5=C(C=C4)C(=NN5)NC6CCOCC6

DOS

IR

Vibrations