Geometry & MOs

Info

ID:	424123
PubChem CID:	135121417
Reduced:	O4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	200.047344
ΔH_f, kcal/mol:	-153.18
Dipole, Da:	4.93
IP(EA), eV:	-8.85(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-prop-1-ynoxychromen-2-one

Drug info:

PubChemData

Smile

C1CC(C(=O)OC1)C2=CC(=C(C=C2)O)O

DOS

IR

Vibrations