Geometry & MOs

Info

ID:	344680
PubChem CID:	127268268
Reduced:	NSO3C13H25 (1)
Stoich.:	ABC3D13E25 (1)
Weight, g/mol:	362.177647
ΔH_f, kcal/mol:	-155.68
Dipole, Da:	3.09
IP(EA), eV:	-9.57(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]pyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2S(=O)(=O)CCOC)C)C

DOS

IR

Vibrations