Geometry & MOs

Info

ID:	332809
PubChem CID:	127251233
Reduced:	O4N5C24H27 (1)
Stoich.:	A4B5C24D27 (1)
Weight, g/mol:	364.201159
ΔH_f, kcal/mol:	-73.0
Dipole, Da:	4.86
IP(EA), eV:	-8.63(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC3=C(C=C2)C(=NN3)NC4CCOCC4)C(=O)C5=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations