Geometry & MOs

Info

ID:	188297
PubChem CID:	77695448
Reduced:	ON3C24H33 (1)
Stoich.:	AB3C24D33 (1)
Weight, g/mol:	480.219512
ΔH_f, kcal/mol:	16.99
Dipole, Da:	2.71
IP(EA), eV:	-8.36(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-1-[4-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperazin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC#CC2CCC3C(C2)C(=O)C(CN3)CC4=CC=CC=C4

DOS

IR

Vibrations