Geometry & MOs

Info

ID:	5989
PubChem CID:	14231
Reduced:	OC4H9 (2)
Stoich.:	AB4C9 (2)
Weight, g/mol:	146.13068
ΔH_f, kcal/mol:	-129.21
Dipole, Da:	2.77
IP(EA), eV:	-10.26(2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octane-1,2-diol

Drug info:

PubChemData

Smile

CCCCCCC(CO)O

DOS

IR

Vibrations