Geometry & MOs

Info

ID:	350759
PubChem CID:	127279047
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-12.29
Dipole, Da:	4.45
IP(EA), eV:	-8.9(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NN(C2=N1)C)C)C(=O)N3CCCC3(C)C

DOS

IR

Vibrations