Geometry & MOs

Info

ID:	332814
PubChem CID:	127251238
Reduced:	ON6C24H30 (1)
Stoich.:	AB6C24D30 (1)
Weight, g/mol:	428.196074
ΔH_f, kcal/mol:	29.94
Dipole, Da:	1.94
IP(EA), eV:	-8.61(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCC5=CC=CC=N5

DOS

IR

Vibrations