Geometry & MOs

Info

ID:	170499
PubChem CID:	75242498
Reduced:	NCl2O4C31H57 (1)
Stoich.:	AB2C4D31E57 (1)
Weight, g/mol:	249.03567
ΔH_f, kcal/mol:	-314.43
Dipole, Da:	5.22
IP(EA), eV:	-9.32(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-chloroanilino)methylidene]-4-fluorocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC1C(CCCC1N(CCCl)CCCl)C(=O)OC(C)(C)C

DOS

IR

Vibrations