Geometry & MOs

Info

ID:	437249
PubChem CID:	135218273
Reduced:	O3C10H12 (1)
Stoich.:	A3B10C12 (1)
Weight, g/mol:	438.157102
ΔH_f, kcal/mol:	-115.88
Dipole, Da:	6.01
IP(EA), eV:	-10.49(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-cyclopropylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1C2CCC(C=C2)C(=O)OC1=O

DOS

IR

Vibrations