Geometry & MOs

Info

ID:	405293
PubChem CID:	135073350
Reduced:	ClNF4H8C14 (1)
Stoich.:	ABC4D8E14 (1)
Weight, g/mol:	264.018936
ΔH_f, kcal/mol:	-141.78
Dipole, Da:	0.72
IP(EA), eV:	-9.51(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(6-chloro-4-oxochromen-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C=CC(=C2)F)N=C(C(F)(F)F)Cl

DOS

IR

Vibrations