Geometry & MOs

Info

ID:	23485
PubChem CID:	603972
Reduced:	BrO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	354.11944
ΔH_f, kcal/mol:	-107.83
Dipole, Da:	2.07
IP(EA), eV:	-9.55(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-bromophenyl)heptoxy]oxane

Drug info:

PubChemData

Smile

CCCCCCC(C1=CC(=CC=C1)Br)OC2CCCCO2

DOS

IR

Vibrations