Geometry & MOs

Info

ID:	309631
PubChem CID:	126551274
Reduced:	NH9C14 (3)
Stoich.:	AB9C14 (3)
Weight, g/mol:	340.256629
ΔH_f, kcal/mol:	201.48
Dipole, Da:	1.26
IP(EA), eV:	-8.87(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethylheptyl)-2-fluoro-1-(4-propylphenyl)benzene

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C3=C1C=C(C=C3)C4=NC(=NC(=N4)C5=CC6=C(C=C5)C7=CC=CC=C7C6)C8=CC9=C(C=C8)C1=CC=CC=C1C9

DOS

IR

Vibrations