Geometry & MOs

Info

ID:	366851
PubChem CID:	127320539
Reduced:	NSO3C14H25 (1)
Stoich.:	ABC3D14E25 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-154.35
Dipole, Da:	3.46
IP(EA), eV:	-9.51(0.34)
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-methylazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)C2(CCCC2)S(=O)(=O)C

DOS

IR

Vibrations