Geometry & MOs

Info

ID:	345238
PubChem CID:	127268998
Reduced:	SO3N5C14H21 (1)
Stoich.:	AB3C5D14E21 (1)
Weight, g/mol:	234.148061
ΔH_f, kcal/mol:	-91.89
Dipole, Da:	4.21
IP(EA), eV:	-8.69(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(1H-imidazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations