Geometry & MOs

Info

ID:	31047
PubChem CID:	854293
Reduced:	FON3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	-12.58
Dipole, Da:	6.97
IP(EA), eV:	-8.46(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethoxy-6-ethyl-4-methylchromen-2-one

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)[C@@H](C(=C(O2)N)C#N)C3=CC(=CC=C3)F

DOS

IR

Vibrations