Geometry & MOs

Info

ID:	82269
PubChem CID:	49855829
Reduced:	FNO4H16C19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	341.106336
ΔH_f, kcal/mol:	-144.77
Dipole, Da:	2.79
IP(EA), eV:	-9.22(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-(4-fluorophenyl)-6-methyl-1,3-benzoxazol-5-yl]-3-oxopropanoate

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1C(=O)CC(=O)OC)N=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations