Geometry & MOs

Info

ID:	344973
PubChem CID:	127268733
Reduced:	NSO2C8H15 (2)
Stoich.:	ABC2D8E15 (2)
Weight, g/mol:	391.204196
ΔH_f, kcal/mol:	-198.25
Dipole, Da:	7.74
IP(EA), eV:	-8.81(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(cyclohexylmethyl)piperazin-1-yl]sulfonyl-1,3-dimethylpyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCN(CC2)S(=O)(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations