Geometry & MOs

Info

ID:	150375
PubChem CID:	53790064
Reduced:	NO5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	490.324709
ΔH_f, kcal/mol:	-98.96
Dipole, Da:	2.68
IP(EA), eV:	-9.4(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-1-(4-methylhexoxy)-4-[4-(4-octoxyphenyl)phenyl]benzene

Drug info:

PubChemData

Smile

CON1CCCC2C1(C(=O)C2=O)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations