Geometry & MOs

Info

ID:	20533
PubChem CID:	584498
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-43.98
Dipole, Da:	0.69
IP(EA), eV:	-8.97(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-propan-2-yl-3,6,7-trioxatricyclo[3.2.2.02,4]nonane

Drug info:

PubChemData

Smile

CC(C)C12CCC(C3C1O3)(OO2)C

DOS

IR

Vibrations