Geometry & MOs

Info

ID:	337074
PubChem CID:	127256639
Reduced:	OC10H15 (2)
Stoich.:	AB10C15 (2)
Weight, g/mol:	268.24023
ΔH_f, kcal/mol:	-116.83
Dipole, Da:	3.35
IP(EA), eV:	-9.49(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-2-propyl-5-(4-propylcyclohexyl)oxan-2-ol

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)[C@@H]2CC[C@](OC2)(C3=CC=CC=C3)O

DOS

IR

Vibrations