Geometry & MOs

Info

ID:	368198
PubChem CID:	127327749
Reduced:	SO3N4C17H28 (1)
Stoich.:	AB3C4D17E28 (1)
Weight, g/mol:	339.172896
ΔH_f, kcal/mol:	-100.66
Dipole, Da:	4.19
IP(EA), eV:	-8.52(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,6-dimethyl-N-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)pyridazin-3-amine

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N(C)C2CCN(CC2)S(=O)(=O)CC3CCCCO3

DOS

IR

Vibrations