Geometry & MOs

Info

ID:	21334
PubChem CID:	587953
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	156.11503
ΔH_f, kcal/mol:	-113.17
Dipole, Da:	1.54
IP(EA), eV:	-9.93(1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole

Drug info:

PubChemData

Smile

CC1(OC2CCCCC2O1)C

DOS

IR

Vibrations