Geometry & MOs

Info

ID:	371569
PubChem CID:	127347190
Reduced:	SO2N5C16H27 (1)
Stoich.:	AB2C5D16E27 (1)
Weight, g/mol:	339.172896
ΔH_f, kcal/mol:	-17.66
Dipole, Da:	2.78
IP(EA), eV:	-8.77(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpiperidin-1-yl)sulfonyl-4-pyridazin-3-yl-1,4-diazepane

Drug info:

PubChemData

Smile

CCCN(CC1CC1)S(=O)(=O)N2CCCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations