Geometry & MOs

Info

ID:	332810
PubChem CID:	127251234
Reduced:	ON6C20H24 (1)
Stoich.:	AB6C20D24 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	44.88
Dipole, Da:	4.3
IP(EA), eV:	-8.39(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations