Geometry & MOs

Info

ID:	172244
PubChem CID:	75484328
Reduced:	FON5H12C14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	273.100108
ΔH_f, kcal/mol:	17.58
Dipole, Da:	5.4
IP(EA), eV:	-9.79(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzoxazol-2-yl)ethyl 3,4-dihydro-2H-pyran-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CCC(=O)NC2=CC=NC3=NC=NN23

DOS

IR

Vibrations