Geometry & MOs

Info

ID:	404805
PubChem CID:	135071150
Reduced:	OC6H6 (3)
Stoich.:	AB6C6 (3)
Weight, g/mol:	244.203845
ΔH_f, kcal/mol:	-83.18
Dipole, Da:	3.16
IP(EA), eV:	-9.43(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2OC(=O)[C@H]1C(C3=CC=CC=C3)O

DOS

IR

Vibrations