Geometry & MOs

Info

ID:	332865
PubChem CID:	127251289
Reduced:	FO2N6H23C24 (1)
Stoich.:	AB2C6D23E24 (1)
Weight, g/mol:	440.253589
ΔH_f, kcal/mol:	2.07
Dipole, Da:	2.78
IP(EA), eV:	-8.61(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-[3-(oxan-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-oxoethyl]azepan-2-one

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC3=C(C=C2)C(=NN3)NCC4=CC=CC=N4)C(=O)COC5=CC=C(C=C5)F

DOS

IR

Vibrations