Geometry & MOs

Info

ID:	82270
PubChem CID:	49855830
Reduced:	FNO4H16C19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	327.090686
ΔH_f, kcal/mol:	-150.38
Dipole, Da:	3.03
IP(EA), eV:	-9.23(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)C1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations