Geometry & MOs

Info

ID:	147152
PubChem CID:	53786805
Reduced:	ClNF3O5H25C27 (1)
Stoich.:	ABC3D5E25F27 (1)
Weight, g/mol:	329.126323
ΔH_f, kcal/mol:	-325.46
Dipole, Da:	1.09
IP(EA), eV:	-9.86(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-[(6-ethyl-2,4-dioxopyran-3-ylidene)methylamino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C(=C(N=C1C)CC(=O)C2=CC=C(C=C2)Cl)C(=O)OCC)C3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations