Geometry & MOs

Info

ID:	332836
PubChem CID:	127251260
Reduced:	ON6C24H30 (1)
Stoich.:	AB6C24D30 (1)
Weight, g/mol:	433.247775
ΔH_f, kcal/mol:	25.51
Dipole, Da:	6.96
IP(EA), eV:	-8.51(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CNC2=NNC3=C2C=CC(=N3)C4CCN(C4)C(=O)CC5CCCC5

DOS

IR

Vibrations