Geometry & MOs

Info

ID:	9842
PubChem CID:	93790
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-100.48
Dipole, Da:	1.82
IP(EA), eV:	-9.96(2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC12CCC(CC1O2)C(C)(C)O

DOS

IR

Vibrations