Geometry & MOs

Info

ID:	217712
PubChem CID:	85088258
Reduced:	Cl2O2C7H9 (2)
Stoich.:	A2B2C7D9 (2)
Weight, g/mol:	392.04846
ΔH_f, kcal/mol:	-143.86
Dipole, Da:	4.51
IP(EA), eV:	-9.78(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(iodomethyl)oxolan-2-yl]-3-phenylmethoxypropane-1,2-diol

Drug info:

PubChemData

Smile

COC1(C2(C(=C(C1(C3(C2(CCC3)CO)CO)Cl)Cl)Cl)Cl)OC

DOS

IR

Vibrations