Geometry & MOs

Info

ID:	387709
PubChem CID:	134986541
Reduced:	ClIO2C5H10 (1)
Stoich.:	ABC2D5E10 (1)
Weight, g/mol:	174.089209
ΔH_f, kcal/mol:	-93.26
Dipole, Da:	1.28
IP(EA), eV:	-9.96(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,5R)-4-methoxy-4,5-dimethyl-3,6,8-trioxabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

COCOC(CCl)CI

DOS

IR

Vibrations