Geometry & MOs

Info

ID:	345248
PubChem CID:	127269312
Reduced:	SO3N5C18H31 (1)
Stoich.:	AB3C5D18E31 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-121.37
Dipole, Da:	9.08
IP(EA), eV:	-8.69(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCC(=O)NC2CCN(CC2)CC3CCCC3

DOS

IR

Vibrations