Geometry & MOs

Info

ID:	20059
PubChem CID:	577919
Reduced:	ClO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	286.133572
ΔH_f, kcal/mol:	-160.11
Dipole, Da:	5.2
IP(EA), eV:	-9.72(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4a-(3-chlorobut-2-enyl)-5,6,7,7a-tetrahydrocyclopenta[d][1,3]dioxin-4-one

Drug info:

PubChemData

Smile

CC(=CCC12CCCC1OC(OC2=O)C(C)(C)C)Cl

DOS

IR

Vibrations