Geometry & MOs

Info

ID:	18144
PubChem CID:	538543
Reduced:	OC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	224.17763
ΔH_f, kcal/mol:	-56.85
Dipole, Da:	2.23
IP(EA), eV:	-9.56(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)but-3-en-2-ol

Drug info:

PubChemData

Smile

CC1(CCC2C(C1C=CC(C)(C)O)(O2)C)C

DOS

IR

Vibrations