Geometry & MOs

Info

ID:	393966
PubChem CID:	135022060
Reduced:	FC23H25 (1)
Stoich.:	AB23C25 (1)
Weight, g/mol:	320.194029
ΔH_f, kcal/mol:	-9.67
Dipole, Da:	2.53
IP(EA), eV:	-8.78(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-butyl-2,4-dimethyl-5-phenylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene

Drug info:

PubChemData

Smile

CCCCC1=C(C(=C(C1C)C2=CC=C(C=C2)F)C3=CC=CC=C3)C

DOS

IR

Vibrations