Geometry & MOs

Info

ID:	57077
PubChem CID:	22395306
Reduced:	BrFON3H19C20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	409.163771
ΔH_f, kcal/mol:	-6.87
Dipole, Da:	8.37
IP(EA), eV:	-8.39(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-amino-3-cyano-7-(dimethylamino)-4H-chromen-4-yl]-2,6-dimethoxyphenyl] acetate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)F)Br

DOS

IR

Vibrations