Geometry & MOs

Info

ID:	321786
PubChem CID:	126666979
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-102.56
Dipole, Da:	2.21
IP(EA), eV:	-9.28(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-methylheptoxy]methylbenzene

Drug info:

PubChemData

Smile

C1CCC(=CC1)COC[C@H]2CCCCO2

DOS

IR

Vibrations