Geometry & MOs

Info

ID:	399360
PubChem CID:	135039807
Reduced:	NOF5H6C12 (1)
Stoich.:	ABC5D6E12 (1)
Weight, g/mol:	409.229642
ΔH_f, kcal/mol:	-204.5
Dipole, Da:	0.3
IP(EA), eV:	-10.56(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

bis[(1R)-1-cyclopenta-2,4-dien-1-ylethyl]-(4-ethoxy-4-oxobutan-2-yl)-phenylphosphanium

Drug info:

PubChemData

Smile

C1=CN=CC=C1C(C2=C(C(=C(C(=C2F)F)F)F)F)O

DOS

IR

Vibrations