Geometry & MOs

Info

ID:	332871
PubChem CID:	127251295
Reduced:	FO2N6C24H25 (1)
Stoich.:	AB2C6D24E25 (1)
Weight, g/mol:	441.216475
ΔH_f, kcal/mol:	1.06
Dipole, Da:	5.92
IP(EA), eV:	-8.64(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-(benzylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC(=O)N2CCC(C2)C3=NC4=C(C=C3)C(=NN4)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations