Geometry & MOs

Info

ID:	409560
PubChem CID:	135082342
Reduced:	LiO2F3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	-231.19
Dipole, Da:	10.59
IP(EA), eV:	-8.72(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-anilinoethylamino)methyl]-3-methylchromen-2-one

Drug info:

PubChemData

Smile

[Li+].C1CCOC(C1)OC2=[C-]C=C(C=C2)C(F)(F)F

DOS

IR

Vibrations