Geometry & MOs

Info

ID:	56194
PubChem CID:	17422491
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	351.090686
ΔH_f, kcal/mol:	-28.15
Dipole, Da:	0.75
IP(EA), eV:	-8.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methoxy]chromen-2-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CCC(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

DOS

IR

Vibrations