Geometry & MOs

Info

ID:	368197
PubChem CID:	127327748
Reduced:	SO2N5C17H29 (1)
Stoich.:	AB2C5D17E29 (1)
Weight, g/mol:	368.188212
ΔH_f, kcal/mol:	-50.18
Dipole, Da:	3.78
IP(EA), eV:	-8.53(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,6-dimethyl-N-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]pyridazin-3-amine

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N(C)C2CCN(CC2)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations