Geometry & MOs

Info

ID:	360170
PubChem CID:	127300786
Reduced:	ON4C21H30 (1)
Stoich.:	AB4C21D30 (1)
Weight, g/mol:	395.199111
ΔH_f, kcal/mol:	-33.59
Dipole, Da:	4.53
IP(EA), eV:	-9.07(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-propylsulfonylpiperidin-2-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=NN=CC=C2)C(=O)CC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations