Geometry & MOs

Info

ID:	47811
PubChem CID:	10535443
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	182.160872
ΔH_f, kcal/mol:	-79.6
Dipole, Da:	1.09
IP(EA), eV:	-9.73(1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,4,4-tetradeuteriohexan-3-yloxybenzene

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H]2C[C@H]3[C@H](O3)CO2

DOS

IR

Vibrations