Geometry & MOs

Info

ID:	350758
PubChem CID:	127279046
Reduced:	SN2O3C13H24 (1)
Stoich.:	AB2C3D13E24 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-162.71
Dipole, Da:	2.67
IP(EA), eV:	-9.34(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C2CCN(CC2)S(=O)(=O)C)C

DOS

IR

Vibrations