Geometry & MOs

Info

ID:	360169
PubChem CID:	127300762
Reduced:	ON6C21H24 (1)
Stoich.:	AB6C21D24 (1)
Weight, g/mol:	354.241962
ΔH_f, kcal/mol:	68.79
Dipole, Da:	4.17
IP(EA), eV:	-8.83(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)N4C(=CC=N4)C

DOS

IR

Vibrations