Geometry & MOs

Info

ID:	370267
PubChem CID:	127337934
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	371.268511
ΔH_f, kcal/mol:	8.86
Dipole, Da:	1.55
IP(EA), eV:	-8.53(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,3-trimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-6-azabicyclo[3.2.1]octane-6-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N1C(=O)NC3CCCN(C3)C4=NN=C(C=C4)C

DOS

IR

Vibrations