Geometry & MOs

Info

ID:	332847
PubChem CID:	127251271
Reduced:	ON3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	356.23246
ΔH_f, kcal/mol:	-3.36
Dipole, Da:	3.01
IP(EA), eV:	-8.52(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCCC5=CC=CC=C5

DOS

IR

Vibrations