Geometry & MOs

Info

ID:	47808
PubChem CID:	10535436
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-115.53
Dipole, Da:	3.03
IP(EA), eV:	-9.54(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,3R)-3-but-3-enyl-3-methyloxiran-2-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(CCC1(C)C)OC(=O)C

DOS

IR

Vibrations