Geometry & MOs

Info

ID:	121504
PubChem CID:	50771185
Reduced:	ClON5C23H30 (1)
Stoich.:	ABC5D23E30 (1)
Weight, g/mol:	443.28964
ΔH_f, kcal/mol:	0.6
Dipole, Da:	2.18
IP(EA), eV:	-7.98(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carbonyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NN=C(C=C2)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations