Geometry & MOs

Info

ID:	160707
PubChem CID:	57389498
Reduced:	O14C57H104 (1)
Stoich.:	A14B57C104 (1)
Weight, g/mol:	246.00556
ΔH_f, kcal/mol:	-610.84
Dipole, Da:	3.23
IP(EA), eV:	-9.93(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-fluoro-2-methoxy-5-propan-2-ylbenzene

Drug info:

PubChemData

Smile

CCCCCCCCC1OC(OO1)CCCCCCCC(=O)C(COC(=O)CCCCCCCC2OC(OO2)CCCCCCCC)COC(=O)CCCCCCCC3OC(OO3)CCCCCCCC

DOS

IR

Vibrations