Geometry & MOs

Info

ID:	393962
PubChem CID:	135022056
Reduced:	FOH17C19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	320.194029
ΔH_f, kcal/mol:	-35.94
Dipole, Da:	2.8
IP(EA), eV:	-9.51(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(C(=C(C1=O)C)C2=CC=CC=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations