Geometry & MOs

Info

ID:	169004
PubChem CID:	75054347
Reduced:	PN3O7C29H56 (1)
Stoich.:	AB3C7D29E56 (1)
Weight, g/mol:	314.168208
ΔH_f, kcal/mol:	-424.89
Dipole, Da:	9.98
IP(EA), eV:	-9.44(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-5-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOCCCOP(=O)(COC(CN1C=CC(=NC1=O)N)CO)O

DOS

IR

Vibrations