Geometry & MOs

Info

ID:	20607
PubChem CID:	584821
Reduced:	O3C14H22 (1)
Stoich.:	A3B14C22 (1)
Weight, g/mol:	238.156895
ΔH_f, kcal/mol:	-147.72
Dipole, Da:	3.78
IP(EA), eV:	-10.03(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-ethenyl-4a,5,6,7,8,8a-hexahydrobenzo[d][1,3]dioxin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1OC2CCCC(C2C(=O)O1)C=C

DOS

IR

Vibrations