Geometry & MOs

Info

ID:	421289
PubChem CID:	135115725
Reduced:	SO3N5C15H25 (1)
Stoich.:	AB3C5D15E25 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-83.25
Dipole, Da:	3.92
IP(EA), eV:	-8.68(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-quinoxalin-2-ylmethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCN(CC1)CC2=CN=C(N=C2)N3CCOCC3

DOS

IR

Vibrations