Geometry & MOs

Info

ID:	292692
PubChem CID:	117357162
Reduced:	F2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	242.069142
ΔH_f, kcal/mol:	-186.42
Dipole, Da:	3.69
IP(EA), eV:	-9.55(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-(3-amino-2H-1,2-oxazol-5-ylidene)-7-hydroxynaphthalen-2-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1C2(CCC2)C(=O)O)F)F

DOS

IR

Vibrations