Geometry & MOs

Info

ID:	232891
PubChem CID:	87577426
Reduced:	FION2H18C19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-24.49
Dipole, Da:	2.62
IP(EA), eV:	-8.0(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[6-(3,4-dimethylphenyl)-1H-1,3,5-triazin-2-ylidene]-3-octoxycyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCN(C1=CNC2=CC=CC=C21)C(=O)C3=C(C=C(C(=C3C)F)C)I

DOS

IR

Vibrations