Geometry & MOs

Info

ID:	149882
PubChem CID:	53789562
Reduced:	O4C25H26 (1)
Stoich.:	A4B25C26 (1)
Weight, g/mol:	348.225329
ΔH_f, kcal/mol:	-106.64
Dipole, Da:	4.06
IP(EA), eV:	-9.03(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-4-[2-[4-(4-pent-3-enylcyclohex-3-en-1-yl)phenyl]ethyl]benzene

Drug info:

PubChemData

Smile

CCCCOC1=C(C(=CC=C1)OCC2=CC=CC=C2)C(=O)OC3=CC=CC=C3C

DOS

IR

Vibrations