Geometry & MOs

Info

ID:	332829
PubChem CID:	127251253
Reduced:	ON3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	9.33
Dipole, Da:	2.01
IP(EA), eV:	-8.58(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCC(=O)N1CCC(C1)C2=NC3=C(C=C2)C(=NN3)NCC4=CC=CC=N4

DOS

IR

Vibrations