Geometry & MOs

Info

ID:	82511
PubChem CID:	49856120
Reduced:	OC6H10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-118.02
Dipole, Da:	1.92
IP(EA), eV:	-9.1(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,6R)-1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=CCCC([C@H]1COC(=O)C)(C)C

DOS

IR

Vibrations