Geometry & MOs

Info

ID:	133320
PubChem CID:	51508129
Reduced:	O2F3N4H21C24 (1)
Stoich.:	A2B3C4D21E24 (1)
Weight, g/mol:	306.076633
ΔH_f, kcal/mol:	-123.03
Dipole, Da:	6.29
IP(EA), eV:	-9.01(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[(3-acetylphenyl)iminomethyl]-4-oxochromen-2-olate

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)N[C@@]2(C(=O)N(C(=N2)C3=CC=CC=C3)CC4=CC=C(C=C4)OC)C(F)(F)F

DOS

IR

Vibrations