Geometry & MOs

Info

ID:	378611
PubChem CID:	134224703
Reduced:	SO3C19H38 (1)
Stoich.:	AB3C19D38 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-180.61
Dipole, Da:	4.85
IP(EA), eV:	-10.19(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-butan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCCC)S(=O)(=O)C1COC1

DOS

IR

Vibrations