Geometry & MOs

Info

ID:	299840
PubChem CID:	117695905
Reduced:	O2N6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	292.26136
ΔH_f, kcal/mol:	52.64
Dipole, Da:	1.77
IP(EA), eV:	-8.24(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylhexane-1,3-diol;octane-3,3-diol

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)NC3=NC(=NC=N3)OC4=CC5=C(C=C4)NC=C5

DOS

IR

Vibrations