Geometry & MOs

Info

ID:	6556
PubChem CID:	68872
Reduced:	O3H10C13 (1)
Stoich.:	A3B10C13 (1)
Weight, g/mol:	214.062994
ΔH_f, kcal/mol:	-34.54
Dipole, Da:	4.79
IP(EA), eV:	-9.24(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-7-prop-2-ynoxychromen-2-one

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OCC#C

DOS

IR

Vibrations