Geometry & MOs

Info

ID:	378227
PubChem CID:	134224303
Reduced:	NF2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	305.122735
ΔH_f, kcal/mol:	-119.81
Dipole, Da:	5.19
IP(EA), eV:	-8.65(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-fluoro-4-[[(1Z,3E)-3-fluoro-5-methylidenehepta-1,3,6-trienyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC(C1=CC(=C(C=C1)N2C=CC3=C2C=CC(=C3)F)F)O

DOS

IR

Vibrations