Geometry & MOs

Info

ID:	332837
PubChem CID:	127251261
Reduced:	O2N5C25H31 (1)
Stoich.:	A2B5C25D31 (1)
Weight, g/mol:	420.227374
ΔH_f, kcal/mol:	-11.47
Dipole, Da:	7.84
IP(EA), eV:	-8.38(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(benzylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC2=NNC3=C2C=CC(=N3)C4CCN(C4)C(=O)CC5CCCC5

DOS

IR

Vibrations