Geometry & MOs

Info

ID:	12989
PubChem CID:	219728
Reduced:	O5C9H14 (1)
Stoich.:	A5B9C14 (1)
Weight, g/mol:	202.084124
ΔH_f, kcal/mol:	-112.9
Dipole, Da:	2.6
IP(EA), eV:	-10.34(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol

Drug info:

PubChemData

Smile

CC1(OC2C3COC(O3)C(C2O1)O)C

DOS

IR

Vibrations