Geometry & MOs

Info

ID:	447738
PubChem CID:	135285223
Reduced:	NO2C13H31 (1)
Stoich.:	AB2C13D31 (1)
Weight, g/mol:	174.16198
ΔH_f, kcal/mol:	-156.7
Dipole, Da:	4.18
IP(EA), eV:	-10.1(2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-diethylhexane-1,4-diol

Drug info:

PubChemData

Smile

CCCC(CCO)C(CCC)(CCC)O.N

DOS

IR

Vibrations