Geometry & MOs

Info

ID:	402884
PubChem CID:	135057694
Reduced:	FNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-142.2
Dipole, Da:	2.4
IP(EA), eV:	-9.57(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-methyl-1,3-benzoxazol-2-yl)methyl]hexanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)CC1=NC2=C(O1)C=C(C=C2)F

DOS

IR

Vibrations