Geometry & MOs

Info

ID:	146114
PubChem CID:	53637987
Reduced:	N3O5C18H24 (1)
Stoich.:	A3B5C18D24 (1)
Weight, g/mol:	384.241293
ΔH_f, kcal/mol:	-155.24
Dipole, Da:	8.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.773685
Charge, e:	0

Chem-info

IUPAC name:

5-[8-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]octyl]-3-propyl-1,2-oxazole

Drug info:

PubChemData

Smile

C1CCN(CC1)[N+]2(CCCN(C2=O)C(=O)O)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations