Geometry & MOs

Info

ID:	80194
PubChem CID:	49833470
Reduced:	N2F3O5H11C16 (1)
Stoich.:	A2B3C5D11E16 (1)
Weight, g/mol:	458.108956
ΔH_f, kcal/mol:	-249.04
Dipole, Da:	7.23
IP(EA), eV:	-9.81(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[5-[[5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]oxy]pyridin-2-yl]benzoate

Drug info:

PubChemData

Smile

C1C(ON=C1OC2=CN=C(C=C2)C(=O)O)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations