Geometry & MOs

Info

ID:	348036
PubChem CID:	127273098
Reduced:	SN3O4C19H31 (1)
Stoich.:	AB3C4D19E31 (1)
Weight, g/mol:	360.252526
ΔH_f, kcal/mol:	-196.42
Dipole, Da:	7.91
IP(EA), eV:	-9.37(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)CC(=O)NC(=O)NC2CCS(=O)(=O)C2)CC3CC4CCC3C4

DOS

IR

Vibrations