Geometry & MOs

Info

ID:	399021
PubChem CID:	135037085
Reduced:	ClOH15C17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	224.123256
ΔH_f, kcal/mol:	-5.76
Dipole, Da:	1.93
IP(EA), eV:	-8.62(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-propyl-3-(2-trimethylsilylethynyl)oxiran-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1(C=C(C2=CC=CC=C2O1)C3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations