Geometry & MOs

Info

ID:	299309
PubChem CID:	117682585
Reduced:	NOC18H23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	272.157643
ΔH_f, kcal/mol:	-16.43
Dipole, Da:	1.46
IP(EA), eV:	-8.74(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-methyl-1-[4-(2-methylbutan-2-yl)phenoxy]benzene

Drug info:

PubChemData

Smile

CCCC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=C2)C

DOS

IR

Vibrations