Geometry & MOs

Info

ID:	402896
PubChem CID:	135057736
Reduced:	N2O3F7H15C19 (1)
Stoich.:	A2B3C7D15E19 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-401.52
Dipole, Da:	9.71
IP(EA), eV:	-9.07(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl 5-(4-methoxyphenyl)-1,3-benzoxazole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N2CCOCC2)C(=O)NC3=C(C(=C(C(=C3F)F)C(F)(F)F)F)F

DOS

IR

Vibrations