Geometry & MOs

Info

ID:	51766
PubChem CID:	12014501
Reduced:	O3C13H15 (2)
Stoich.:	A3B13C15 (2)
Weight, g/mol:	689.86253
ΔH_f, kcal/mol:	-213.7
Dipole, Da:	1.92
IP(EA), eV:	-9.09(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[[2,6-bis(bromomethyl)-4-methylphenoxy]methyl]phenyl]methoxy]-1,3-bis(bromomethyl)-5-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)CO)OCC2=CC=C(C=C2)COC3=C(C=C(C=C3CO)C)CO)CO

DOS

IR

Vibrations