Geometry & MOs

Info

ID:	190944
PubChem CID:	78082385
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	360.187149
ΔH_f, kcal/mol:	-19.19
Dipole, Da:	4.11
IP(EA), eV:	-8.87(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-acetylthiophen-3-yl)-1-[6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethanone

Drug info:

PubChemData

Smile

C1CC1C2CC(NN2)C(=O)N3CC4CCC(C3)N(C4=O)CC5=CC=CC=N5

DOS

IR

Vibrations