Geometry & MOs

Info

ID:	369733
PubChem CID:	127335167
Reduced:	OSN4C20H26 (1)
Stoich.:	ABC4D20E26 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-2.59
Dipole, Da:	3.48
IP(EA), eV:	-8.54(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)NC3CCCN(C3)C4=NN=C(C=C4)C

DOS

IR

Vibrations