Geometry & MOs

Info

ID:	332817
PubChem CID:	127251241
Reduced:	FO2N5H24C25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	-9.25
Dipole, Da:	3.99
IP(EA), eV:	-8.65(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethoxyphenyl)-[3-[3-(propan-2-ylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC3=C(C=C2)C(=NN3)NCC4=CC=C(C=C4)F)C(=O)COC5=CC=CC=C5

DOS

IR

Vibrations