Geometry & MOs

Info

ID:	121511
PubChem CID:	50771839
Reduced:	ON6C22H36 (1)
Stoich.:	AB6C22D36 (1)
Weight, g/mol:	447.299811
ΔH_f, kcal/mol:	-17.94
Dipole, Da:	1.51
IP(EA), eV:	-7.83(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyridazin-3-yl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCNC(=O)C2CCN(CC2)C3=NN=C(C=C3)N4CCCC4

DOS

IR

Vibrations