Geometry & MOs

Info

ID:	404815
PubChem CID:	135071216
Reduced:	NO7C21H29 (1)
Stoich.:	AB7C21D29 (1)
Weight, g/mol:	242.188195
ΔH_f, kcal/mol:	-255.69
Dipole, Da:	4.59
IP(EA), eV:	-8.38(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-hydroxy-2,6-dimethylheptyl)oxan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1(C[C@@H]2CCO[C@@H]2ON(C1)CC3=CC=C(C=C3)OC)C(=O)OCC

DOS

IR

Vibrations