Geometry & MOs

Info

ID:	349028
PubChem CID:	127274754
Reduced:	SO2N5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	356.167083
ΔH_f, kcal/mol:	-14.27
Dipole, Da:	1.27
IP(EA), eV:	-8.91(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1CN2CCOCC2)C(=O)CC3=CSC(=N3)C4=NC=CN=C4

DOS

IR

Vibrations