Geometry & MOs

Info

ID:	48875
PubChem CID:	11528426
Reduced:	O3C9H16 (1)
Stoich.:	A3B9C16 (1)
Weight, g/mol:	172.14633
ΔH_f, kcal/mol:	-149.05
Dipole, Da:	1.67
IP(EA), eV:	-9.93(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2,7-dimethyloct-4-ene-1,8-diol

Drug info:

PubChemData

Smile

CCOC(=O)CC/C(=C\C)/CO

DOS

IR

Vibrations