Geometry & MOs

Info

ID:	227633
PubChem CID:	87562136
Reduced:	NOC4H7 (3)
Stoich.:	ABC4D7 (3)
Weight, g/mol:	318.27701
ΔH_f, kcal/mol:	-108.09
Dipole, Da:	6.75
IP(EA), eV:	-10.32(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxy-3-propylhexoxy)-3-propylhexane-1,3-diol

Drug info:

PubChemData

Smile

CCCCCCCCCN=C=O.C(=N)=O.C(=N)=O

DOS

IR

Vibrations