Geometry & MOs

Info

ID:	47809
PubChem CID:	10535439
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-64.46
Dipole, Da:	1.09
IP(EA), eV:	-9.82(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-(3-methyl-3-prop-2-enyloxiran-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C(=O)[C@@H]1[C@@](O1)(C)CCC=C

DOS

IR

Vibrations