Geometry & MOs

Info

ID:	222268
PubChem CID:	85295843
Reduced:	O3C18H20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	284.198759
ΔH_f, kcal/mol:	-51.17
Dipole, Da:	4.38
IP(EA), eV:	-8.9(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,2-dimethylpropanoyl)-5-(hydroxymethyl)oxolan-3-yl]-3,3-dimethylbutan-2-one

Drug info:

PubChemData

Smile

CCCC(=CC1=CC=CC=C1)C2=C(C(=O)C2=O)OC(C)C

DOS

IR

Vibrations