Geometry & MOs

Info

ID:	142982
PubChem CID:	53126721
Reduced:	FO2N5H22C24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	351.121906
ΔH_f, kcal/mol:	30.08
Dipole, Da:	1.63
IP(EA), eV:	-8.54(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-6-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)C3=CN=C(C=C3)N4CCN(CC4)C5=CC=CC=C5F

DOS

IR

Vibrations