Geometry & MOs

Info

ID:	350721
PubChem CID:	127279009
Reduced:	NSO3C9H17 (1)
Stoich.:	ABC3D9E17 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-159.89
Dipole, Da:	3.61
IP(EA), eV:	-9.61(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)CS(=O)(=O)C)C

DOS

IR

Vibrations