Geometry & MOs

Info

ID:	136524
PubChem CID:	52056433
Reduced:	ON5C24H36 (1)
Stoich.:	AB5C24D36 (1)
Weight, g/mol:	409.284161
ΔH_f, kcal/mol:	-5.76
Dipole, Da:	3.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.008075
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)ethyl]-1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCC(CC3)C(=O)NCC[NH+](CC)CC

DOS

IR

Vibrations