Geometry & MOs

Info

ID:	288965
PubChem CID:	104329094
Reduced:	BrFO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	306.04194
ΔH_f, kcal/mol:	-88.79
Dipole, Da:	4.68
IP(EA), eV:	-8.9(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bromo-(2,5-dimethylphenyl)methyl]-4-fluoro-2-methylbenzene

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(C2=CC3=C(C=C2)OCCCO3)Br

DOS

IR

Vibrations