Geometry & MOs

Info

ID:	264387
PubChem CID:	103458629
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	236.123486
ΔH_f, kcal/mol:	-11.37
Dipole, Da:	6.06
IP(EA), eV:	-9.12(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1-(5-ethylthiophen-2-yl)hex-3-en-2-one

Drug info:

PubChemData

Smile

CCC(=CC(=O)CC1=CN(N=C1)C)CC

DOS

IR

Vibrations