Geometry & MOs

Info

ID:	230319
PubChem CID:	87570640
Reduced:	OH4C5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	244.073559
ΔH_f, kcal/mol:	56.19
Dipole, Da:	7.06
IP(EA), eV:	-9.12(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethynyl-4,5-dimethoxy-3-methylchromen-2-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C(C=C2OC)C#C)OC1=O)OC.C1=CC2=CC2=C1

DOS

IR

Vibrations