Geometry & MOs

Info

ID:	177026
PubChem CID:	76126219
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	176.104859
ΔH_f, kcal/mol:	-83.71
Dipole, Da:	3.65
IP(EA), eV:	-8.7(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,4-trihydroxyoctan-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=C2CCC3=C2OC4CC(CCC4C3=O)N

DOS

IR

Vibrations