Geometry & MOs

Info

ID:	147011
PubChem CID:	53777036
Reduced:	ON2C6H6 (4)
Stoich.:	AB2C6D6 (4)
Weight, g/mol:	208.162729
ΔH_f, kcal/mol:	4.74
Dipole, Da:	1.82
IP(EA), eV:	-9.02(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-3-(6-methylheptyl)benzene

Drug info:

PubChemData

Smile

CN1CCN=C1C2=CC(=CC=C2)OC3=NC(C4=C(N3)N=CC(=O)N4)OC5=C(C=CC(=C5)C(=N)N)OC

DOS

IR

Vibrations