Geometry & MOs

Info

ID:	410736
PubChem CID:	135083537
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	240.118401
ΔH_f, kcal/mol:	-68.3
Dipole, Da:	3.41
IP(EA), eV:	-9.62(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2R,7S,9R)-10,10-dimethyl-4-oxa-6-thiatricyclo[7.1.1.02,7]undecan-5-yl]ethanone

Drug info:

PubChemData

Smile

COC(CCC(=C)C=C)OC

DOS

IR

Vibrations