Geometry & MOs

Info

ID:	369487
PubChem CID:	127334204
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	367.192963
ΔH_f, kcal/mol:	-122.46
Dipole, Da:	3.15
IP(EA), eV:	-9.03(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCN(CC3)CC4CCOCC4

DOS

IR

Vibrations