Geometry & MOs

Info

ID:	332820
PubChem CID:	127251244
Reduced:	FON6H21C23 (1)
Stoich.:	ABC6D21E23 (1)
Weight, g/mol:	428.196074
ΔH_f, kcal/mol:	42.83
Dipole, Da:	3.75
IP(EA), eV:	-8.71(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC3=C(C=C2)C(=NN3)NCC4=CC=C(C=C4)F)C(=O)C5=CC=CC=N5

DOS

IR

Vibrations