Geometry & MOs

Info

ID:	46182
PubChem CID:	10522853
Reduced:	NO6C19H27 (1)
Stoich.:	AB6C19D27 (1)
Weight, g/mol:	365.162708
ΔH_f, kcal/mol:	-224.72
Dipole, Da:	1.38
IP(EA), eV:	-9.44(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@H]([C@@H]([C@@H]3[C@H]([C@@H]2O1)OC(O3)(C)C)O)NOCC4=CC=CC=C4)C

DOS

IR

Vibrations