Geometry & MOs

Info

ID:	204507
PubChem CID:	79973969
Reduced:	SN2O4C12H20 (1)
Stoich.:	AB2C4D12E20 (1)
Weight, g/mol:	339.10586
ΔH_f, kcal/mol:	-168.22
Dipole, Da:	5.21
IP(EA), eV:	-8.56(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-methyl-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N)S(=O)(=O)NCC(C)(C)O)OC

DOS

IR

Vibrations