Geometry & MOs

Info

ID:	189418
PubChem CID:	77853222
Reduced:	OSN3C21H29 (1)
Stoich.:	ABC3D21E29 (1)
Weight, g/mol:	357.162332
ΔH_f, kcal/mol:	29.86
Dipole, Da:	4.59
IP(EA), eV:	-8.5(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methyl-1,3-thiazol-5-yl)-1-(3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN2CC3CCC(C2)N(C3)CCSC4=CC=CC=C4

DOS

IR

Vibrations