Geometry & MOs

Info

ID:	332861
PubChem CID:	127251285
Reduced:	FO2N6C24H25 (1)
Stoich.:	AB2C6D24E25 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-28.73
Dipole, Da:	5.86
IP(EA), eV:	-8.81(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylphenoxy)-1-[3-[3-(oxan-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC3=C(C=C2)C(=NN3)NC4CCOCC4)C(=O)C5=CC6=C(N5)C=C(C=C6)F

DOS

IR

Vibrations