Geometry & MOs

Info

ID:	31058
PubChem CID:	854332
Reduced:	O6H16C17 (1)
Stoich.:	A6B16C17 (1)
Weight, g/mol:	280.073559
ΔH_f, kcal/mol:	-234.86
Dipole, Da:	7.69
IP(EA), eV:	-9.19(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenacyloxychromen-2-one

Drug info:

PubChemData

Smile

CC(=O)OC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OC(=O)C

DOS

IR

Vibrations