Geometry & MOs

Info

ID:	121522
PubChem CID:	50771950
Reduced:	ON7C27H45 (1)
Stoich.:	AB7C27D45 (1)
Weight, g/mol:	389.279075
ΔH_f, kcal/mol:	-20.74
Dipole, Da:	0.9
IP(EA), eV:	-7.98(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-piperidin-1-ylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CCN(CC2)CCCNC(=O)C3CCN(CC3)C4=NN=C(C=C4)N5CCCC5

DOS

IR

Vibrations