Geometry & MOs

Info

ID:	8255
PubChem CID:	75708
Reduced:	O4H8C11 (1)
Stoich.:	A4B8C11 (1)
Weight, g/mol:	204.042259
ΔH_f, kcal/mol:	-120.81
Dipole, Da:	6.45
IP(EA), eV:	-10.07(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-2-hydroxychromen-4-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(OC2=CC=CC=C2C1=O)O

DOS

IR

Vibrations