Geometry & MOs

Info

ID:	81885
PubChem CID:	49855303
Reduced:	NF3O5C24H28 (1)
Stoich.:	AB3C5D24E28 (1)
Weight, g/mol:	443.209658
ΔH_f, kcal/mol:	-264.65
Dipole, Da:	1.33
IP(EA), eV:	-8.84(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(diethylamino)ethoxy]phenyl]-7-methoxy-4-phenylchromen-2-one

Drug info:

PubChemData

Smile

C[C@@]12[C@H](C[C@@H](N1C3=CC=C(C=C3)OC)C(F)(F)F)[C@H](OO2)CCOCC4=CC=C(C=C4)OC

DOS

IR

Vibrations