Geometry & MOs

Info

ID:	370275
PubChem CID:	127337942
Reduced:	ON7C20H29 (1)
Stoich.:	AB7C20D29 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	19.0
Dipole, Da:	4.32
IP(EA), eV:	-8.54(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCCC(C3)N4C=C(C=N4)C

DOS

IR

Vibrations