Geometry & MOs

Info

ID:	57168
PubChem CID:	22395422
Reduced:	O3C12H13 (2)
Stoich.:	A3B12C13 (2)
Weight, g/mol:	246.234751
ΔH_f, kcal/mol:	-222.38
Dipole, Da:	3.64
IP(EA), eV:	-9.01(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-di(hexan-3-yl)benzene

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)CC2=C(C=C(C=C2CO)O)CO)CC3=C(C=C(C=C3CO)O)CO

DOS

IR

Vibrations